UCSF

ZINC09164542

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 32 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) -0.84 4.34 -71.91 3 13 -1 180 483.508 8
Lo Low (pH 4.5-6) -0.84 -3.71 -86.39 4 13 0 181 484.516 8

Activity (Go SEA)

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