UCSF

ZINC42902186

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.62 5.3 -52.23 3 3 1 44 270.4 6
Mid Mid (pH 6-8) 1.62 7.19 -120.47 4 3 2 45 271.408 6

Activity (Go SEA)

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