UCSF

ZINC34222847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 12 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) 0.66 2.08 -5.45 2 2 0 32 163.22 1
Lo Low (pH 4.5-6) 0.66 2.61 -37.7 3 2 1 37 164.228 1

Activity (Go SEA)

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