UCSF

ZINC42915114

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.71 7.99 -122.25 4 3 2 41 296.43 6
Hi High (pH 8-9.5) 2.71 7.66 -35.11 3 3 1 40 295.422 6
Hi High (pH 8-9.5) 2.71 6.44 -46.11 3 3 1 40 295.422 6

Activity (Go SEA)

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