UCSF

ZINC40694187

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 0.32 7.3 -53.47 1 4 0 48 254.374 4
Lo Low (pH 4.5-6) 0.33 9.45 -79.87 2 4 1 49 255.382 4

Activity (Go SEA)

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