UCSF

ZINC49336795

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.52 3.89 -105.42 4 5 2 71 252.362 3
Mid Mid (pH 6-8) 0.52 1.68 -46.02 3 5 1 70 251.354 3

Activity (Go SEA)

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