UCSF

ZINC39557446

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 9 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) -0.56 -0.48 -46.72 3 3 1 46 127.167 0
Hi High (pH 8-9.5) -0.56 -1.7 -8.97 2 3 0 41 126.159 0

Activity (Go SEA)

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