UCSF

ZINC43699966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.99 3.07 -37.39 3 6 0 89 280.324 5
Hi High (pH 8-9.5) -1.99 2.66 -46.92 2 6 -1 88 279.316 5
Hi High (pH 8-9.5) -1.99 4.56 -45.01 3 6 0 89 280.324 5
Lo Low (pH 4.5-6) -1.99 4.98 -91 4 6 1 91 281.332 5

Activity (Go SEA)

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