UCSF

ZINC45664070

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) 0.17 0.4 -44.77 3 3 1 40 173.28 2
Lo Low (pH 4.5-6) 0.17 2.37 -117.72 4 3 2 41 174.288 2

Activity (Go SEA)

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