UCSF

ZINC40856366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 2.27 4.02 -52.25 5 5 1 86 292.403 6
Hi High (pH 8-9.5) 2.27 3.69 -12.27 4 5 0 84 291.395 6

Activity (Go SEA)

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