UCSF

ZINC04848424

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 4.69 11.41 -13.51 1 5 0 48 357.413 4
Mid Mid (pH 6-8) 4.69 11.79 -31.57 2 5 1 49 358.421 4

Activity (Go SEA)

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