UCSF

ZINC42779637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 3.10 7.44 -96.85 3 2 2 21 216.413 7
Hi High (pH 8-9.5) 3.10 6.24 -30.38 2 2 1 16 215.405 7
Mid Mid (pH 6-8) 3.10 5.8 -34.3 2 2 1 20 215.405 7

Activity (Go SEA)

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