UCSF

ZINC34821056

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 2.75 7.53 -37.72 2 3 1 39 257.357 6
Lo Low (pH 4.5-6) 2.75 7.99 -83.35 3 3 2 40 258.365 6

Activity (Go SEA)

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