UCSF

ZINC13603062

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 20 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) 0.64 6.41 -118.62 4 4 2 59 272.396 9
Lo Low (pH 4.5-6) 0.64 6.68 -185.54 5 4 3 60 273.404 9

Activity (Go SEA)

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