UCSF

ZINC06506349

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 16 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) -0.51 -0.17 -36.66 1 8 -1 117 220.168 1
Mid Mid (pH 6-8) -0.51 -1.32 -53.71 1 8 -1 118 220.168 1
Mid Mid (pH 6-8) -0.06 -2.33 -105.88 0 8 -2 120 219.16 1
Mid Mid (pH 6-8) -0.51 -0.49 -38.98 1 8 -1 117 220.168 1
Lo Low (pH 4.5-6) -0.97 -0.01 -16.5 2 8 0 115 221.176 1

Activity (Go SEA)

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

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