UCSF

ZINC06238700

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 23 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) 4.36 8.82 -9.87 1 5 0 68 378.27 3
Lo Low (pH 4.5-6) 4.36 8.57 -26.38 2 5 1 69 379.278 3

Activity (Go SEA)

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