UCSF

ZINC40835236

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 25 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) 2.95 5.91 -50.88 3 6 1 84 334.403 4
Hi High (pH 8-9.5) 2.95 5.52 -8.96 2 6 0 83 333.395 4

Activity (Go SEA)

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