UCSF

ZINC05174937

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 22 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) 3.94 11.61 -9.47 0 3 0 42 305.406 4
Mid Mid (pH 6-8) 3.94 12.05 -38.98 1 3 1 43 306.414 4

Activity (Go SEA)

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