UCSF

ZINC06779767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 1.79 -2.31 -17.11 2 8 0 114 338.341 7
Hi High (pH 8-9.5) 1.79 -1.73 -41.41 1 8 -1 116 337.333 7

Activity (Go SEA)

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