UCSF

ZINC13690773

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.11 6.48 -42.58 3 9 -1 131 287.185 5
Hi High (pH 8-9.5) -0.11 5.87 -100.76 2 9 -2 129 286.177 5
Hi High (pH 8-9.5) -0.49 4.15 -211.32 1 9 -3 131 285.169 5
Hi High (pH 8-9.5) -0.49 3.93 -209.02 1 9 -3 131 285.169 5
Hi High (pH 8-9.5) -0.11 6.18 -101.93 2 9 -2 129 286.177 5
Hi High (pH 8-9.5) -0.30 7.19 -96.1 2 9 -2 121 286.177 5
Mid Mid (pH 6-8) -0.11 3.45 -47.42 3 9 -1 126 287.185 5
Mid Mid (pH 6-8) -0.12 7.06 -19.39 4 9 0 128 288.193 4
Mid Mid (pH 6-8) -0.12 6.81 -10.8 4 9 0 128 288.193 4
Mid Mid (pH 6-8) -0.12 7.17 -14.2 4 9 0 128 288.193 4
Mid Mid (pH 6-8) -0.30 7.56 -42.76 3 9 -1 123 287.185 5
Lo Low (pH 4.5-6) -0.32 4.74 -37.46 2 9 -1 131 287.185 5
Lo Low (pH 4.5-6) -0.32 4.35 -40.94 2 9 -1 131 287.185 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.