UCSF

ZINC40497097

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 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) 1.05 6.53 -12.59 1 5 0 58 248.33 2
Lo Low (pH 4.5-6) 1.05 6.89 -37.21 2 5 1 59 249.338 2

Activity (Go SEA)

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