UCSF

ZINC07485495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 28 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) 4.08 5.92 -12.25 1 6 0 71 396.516 9
Lo Low (pH 4.5-6) 4.08 6.36 -88.72 2 6 0 72 397.524 9

Activity (Go SEA)

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