UCSF

ZINC19865052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 1.96 6.56 -40.96 2 5 1 63 325.816 7
Hi High (pH 8-9.5) 1.96 5.15 -8.75 1 5 0 59 324.808 7
Lo Low (pH 4.5-6) 1.96 7.1 -34.16 2 5 1 60 325.816 7
Lo Low (pH 4.5-6) 1.96 8.51 -111.37 3 5 2 64 326.824 7

Activity (Go SEA)

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