UCSF

ZINC05764706

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 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) 2.63 9.25 -13.6 0 6 0 79 339.347 6
Lo Low (pH 4.5-6) 2.63 9.53 -44.88 1 6 1 80 340.355 6

Activity (Go SEA)

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