UCSF

ZINC31934992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 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) 0.29 2 -87.9 5 3 2 52 196.294 5
Hi High (pH 8-9.5) 0.29 1.61 -33.96 4 3 1 51 195.286 5

Activity (Go SEA)

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