UCSF

ZINC03049427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 33 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) 6.96 14.02 -13.44 1 4 0 45 478.061 7
Lo Low (pH 4.5-6) 6.96 14.11 -79.14 2 4 0 46 479.069 7

Activity (Go SEA)

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