UCSF

ZINC40828056

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 0.24 0.56 -42.92 1 8 -1 108 291.316 3
Lo Low (pH 4.5-6) 0.24 0.54 -16.77 2 8 0 106 292.324 3

Activity (Go SEA)

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