UCSF

ZINC40175552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 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) 1.72 8.53 -5.11 0 4 0 42 280.274 4
Lo Low (pH 4.5-6) 1.72 8.92 -30.2 1 4 1 44 281.282 4

Activity (Go SEA)

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