UCSF

ZINC41664805

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.53 1.46 -53.78 6 4 1 83 230.291 3
Hi High (pH 8-9.5) 0.53 1.08 -8.53 5 4 0 81 229.283 3

Activity (Go SEA)

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