UCSF

ZINC41678744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.30 3.17 -6.52 1 2 0 36 231.118 2
Lo Low (pH 4.5-6) 2.30 4.41 -47.78 2 2 1 40 232.126 2

Activity (Go SEA)

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