UCSF

ZINC40763263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 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 4.79 -9.88 2 5 0 84 292.331 0
Hi High (pH 8-9.5) 2.54 5.79 -52.19 1 5 -1 87 291.323 0

Activity (Go SEA)

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