UCSF

ZINC07201615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 27 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) 4.64 12.59 -18.77 0 4 0 44 376.46 5
Lo Low (pH 4.5-6) 4.64 12.85 -37.02 1 4 1 45 377.468 5

Activity (Go SEA)

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