UCSF

ZINC45686294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.12 3.96 -39.7 2 4 1 38 271.425 4
Lo Low (pH 4.5-6) 2.12 5.54 -118.07 3 4 2 40 272.433 4

Activity (Go SEA)

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