UCSF

ZINC34821290

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 3.25 8.3 -38.48 2 3 1 39 271.384 7
Lo Low (pH 4.5-6) 3.25 8.75 -84.33 3 3 2 40 272.392 7

Activity (Go SEA)

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