UCSF

ZINC40266219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 No

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) 0.27 3.45 -44.95 3 8 1 92 349.411 7
Hi High (pH 8-9.5) 0.46 2.15 -44.93 2 8 0 98 348.403 7

Activity (Go SEA)

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