UCSF

ZINC36731867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.31 4.2 -109.85 5 4 2 61 243.395 7
Hi High (pH 8-9.5) 1.31 2.14 -43.54 4 4 1 60 242.387 7
Mid Mid (pH 6-8) 1.31 3.82 -35.39 4 4 1 60 242.387 7

Activity (Go SEA)

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