UCSF

ZINC11839377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 34 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) 4.07 -0.84 -16.64 0 7 0 89 472.57 5
Lo Low (pH 4.5-6) 4.07 -0.73 -45.9 1 7 1 90 473.578 5

Activity (Go SEA)

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