UCSF

ZINC41680236

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) 1.25 6.51 -102.71 3 4 2 41 243.395 6
Hi High (pH 8-9.5) 1.25 5.33 -37.89 2 4 1 37 242.387 6

Activity (Go SEA)

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