UCSF

ZINC26570910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.54 7.63 -16.68 1 10 0 147 351.344 5
Mid Mid (pH 6-8) 2.61 6.72 -37.63 0 10 -1 153 350.336 5

Activity (Go SEA)

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