UCSF

ZINC34552382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 3.79 7.84 -5.63 0 1 0 13 185.27 3
Lo Low (pH 4.5-6) 3.79 8.29 -28.06 1 1 1 14 186.278 3

Activity (Go SEA)

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