UCSF

ZINC44411362

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 10 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) 1.96 3.79 -34.35 3 1 1 28 221.143 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0758897A1; EP1006115A2; EP1006115A3; US5364862; US5561134; US5652366; US5736554; WO1992005177A1; WO1995028160A1; WO1997024327A1 IBM Patent Data

Activity (Go SEA)

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