UCSF

ZINC34526259

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.35 4.08 -61.03 3 3 1 45 174.227 0
Hi High (pH 8-9.5) 0.35 3.77 -8.9 2 3 0 44 173.219 0
Lo Low (pH 4.5-6) 0.35 4.56 -104.69 4 3 2 47 175.235 0

Activity (Go SEA)

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