UCSF

ZINC05117290

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 9 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) 0.39 1.06 -42.28 0 4 -1 53 119.107 0
Mid Mid (pH 6-8) 0.39 1.07 -10.28 1 4 0 54 120.115 0

Vendor Notes

Note Type Comments Provided By
MP 207 TCI
PUBCHEM_PATENT_ID EP0366085B1; EP0785939A1; EP0862573A1; EP0906115A1; EP0975222A1; US4914206; US5034404; US5084459; US5175301; US5214152; US5230893; US5256679; US5389641; US5438065; US5489603; US5633375; US5977132; US5994355; US5998433; US6004954; US6008363; US6015789; US6 IBM Patent Data
PUBCHEM_PATENT_ID EP0534323B1; EP0670514A2; EP0670514A3; US5178997; US5389509; US5411851; US5558982; WO1999055726A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.