UCSF

ZINC39550316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.63 9.57 -8.05 0 2 0 25 324.427 3
Lo Low (pH 4.5-6) 5.63 11.52 -26.02 1 2 1 26 325.435 3
Lo Low (pH 4.5-6) 5.63 10.53 -25.34 1 2 1 26 325.435 3

Activity (Go SEA)

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