UCSF

ZINC34656889

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 2.99 8.39 -44.22 2 3 1 39 271.384 6
Lo Low (pH 4.5-6) 2.99 8.85 -80.37 3 3 2 40 272.392 6

Activity (Go SEA)

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