UCSF

ZINC67176165

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 11 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) 1.52 1.63 -5.33 2 3 0 37 214.066 0
Lo Low (pH 4.5-6) 1.52 2.08 -27.06 3 3 1 38 215.074 0

Activity (Go SEA)

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