UCSF

ZINC06379404

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 19 Yes

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) -1.15 -0.99 -20.2 4 7 0 108 260.253 1
Ref Reference (pH 7) -1.15 -0.79 -15.43 4 7 0 108 260.253 1
Hi High (pH 8-9.5) -1.15 -0.78 -44.39 3 7 -1 106 259.245 1
Hi High (pH 8-9.5) -0.97 -3.12 -107.32 2 7 -2 112 258.237 1
Hi High (pH 8-9.5) -1.15 -0.98 -40.26 3 7 -1 106 259.245 1
Hi High (pH 8-9.5) -0.97 -3.49 -41.28 3 7 -1 109 259.245 1
Hi High (pH 8-9.5) -0.97 -2.93 -108.52 2 7 -2 112 258.237 1
Hi High (pH 8-9.5) -0.97 -3.67 -39.99 3 7 -1 109 259.245 1
Mid Mid (pH 6-8) -0.97 -3.13 -56.23 3 7 -1 114 259.245 1
Mid Mid (pH 6-8) -0.97 -2.94 -54.85 3 7 -1 114 259.245 1

Activity (Go SEA)

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

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