UCSF

ZINC41679571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) -0.80 1.55 -87.02 5 4 2 61 189.303 6
Hi High (pH 8-9.5) -0.80 1.23 -41.48 4 4 1 60 188.295 6

Activity (Go SEA)

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