UCSF

ZINC04902868

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.75 7.08 -9.99 0 6 0 67 369.874 3
Lo Low (pH 4.5-6) 2.75 6.91 -48.2 1 6 1 68 370.882 3

Activity (Go SEA)

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