UCSF

ZINC34628306

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 4.97 10.37 -76.79 3 3 0 68 271.445 15
Lo Low (pH 4.5-6) 4.97 8.39 -44.56 4 3 1 65 272.453 15

Activity (Go SEA)

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