UCSF

ZINC05447248

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 25 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) 4.87 6.52 -48.48 1 5 -1 77 400.307 5
Mid Mid (pH 6-8) 4.87 6.5 -13.27 2 5 0 75 401.315 5

Activity (Go SEA)

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