UCSF

ZINC05636248

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 28 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) 3.44 10.32 -13.34 1 5 0 60 368.44 5
Lo Low (pH 4.5-6) 3.44 10.6 -48.57 2 5 1 61 369.448 5

Activity (Go SEA)

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