UCSF

ZINC05817972

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.43 5.15 -31.63 3 6 0 95 273.292 3
Mid Mid (pH 6-8) -0.43 5.79 -72.1 4 6 1 96 274.3 3

Activity (Go SEA)

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