UCSF

ZINC04965956

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 30 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) 4.18 10.96 -13.69 2 8 0 94 404.474 7
Lo Low (pH 4.5-6) 4.36 11.36 -33.53 3 8 1 99 405.482 7

Activity (Go SEA)

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