UCSF

ZINC42491182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.54 8.14 -102.67 3 2 2 21 212.381 7
Hi High (pH 8-9.5) 2.54 6.99 -30.16 2 2 1 16 211.373 7

Activity (Go SEA)

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