UCSF

ZINC42459212

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.47 -0.23 -10.79 4 6 0 94 224.264 5
Lo Low (pH 4.5-6) -0.47 0.27 -30.56 5 6 1 96 225.272 5

Activity (Go SEA)

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