UCSF

ZINC34616939

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 1.39 6.12 -44.49 0 2 -1 40 139.174 3
Lo Low (pH 4.5-6) 1.39 4.14 -5.35 1 2 0 37 140.182 3

Activity (Go SEA)

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