UCSF

ZINC33823873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 1.27 3.05 -48.75 3 2 1 37 164.228 0
Hi High (pH 8-9.5) 1.27 2.74 -4 2 2 0 35 163.22 0

Activity (Go SEA)

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