UCSF

ZINC40711834

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 3.56 7.84 -5.74 0 2 0 16 208.28 1
Lo Low (pH 4.5-6) 3.56 7.85 -25.52 1 2 1 17 209.288 1

Activity (Go SEA)

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