UCSF

ZINC33911197

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 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) 5.50 13.12 -8.89 1 4 0 56 449.579 5
Lo Low (pH 4.5-6) 5.50 15.39 -48.28 2 4 1 57 450.587 5

Activity (Go SEA)

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