UCSF

ZINC05071679

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 8 No

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) -2.92 -0.83 -27.81 1 2 1 12 115.2 0
Mid Mid (pH 6-8) -2.92 0.8 -101.8 2 2 2 16 116.208 0

Activity (Go SEA)

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