UCSF

ZINC34581384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.86 -1.23 -5.98 4 4 0 70 230.695 5
Lo Low (pH 4.5-6) 0.86 -1.12 -14.07 5 4 0 71 231.703 5

Activity (Go SEA)

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