UCSF

ZINC34372266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 18 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) 2.72 5.79 -6.44 2 6 0 83 308.139 2
Lo Low (pH 4.5-6) 2.72 5.65 -31.39 3 6 1 84 309.147 2

Activity (Go SEA)

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