UCSF

ZINC43393812

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.97 8.47 -122.22 4 2 2 32 248.414 3
Hi High (pH 8-9.5) 2.97 8.27 -28.09 3 2 1 30 247.406 3
Hi High (pH 8-9.5) 2.97 6.47 -46.37 3 2 1 31 247.406 3

Activity (Go SEA)

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