UCSF

ZINC08618967

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 11 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) -0.13 -0.42 -106.87 0 6 -2 89 150.097 0
Ref Reference (pH 7) -0.85 1.04 -35.62 0 6 -1 83 151.105 0
Lo Low (pH 4.5-6) -0.13 -0.51 -46.06 1 6 -1 86 151.105 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0073463A1; EP0074515A1; EP0228914A2; EP0273986A1; EP0273986B1; EP0444747A2; EP0766134A3; EP0766134B1; EP0777150A1; US4497814; US4622391; US4628082; US4892945; US4937178; US4942225; US5006656; US5032494; US5118591; US5766832; US5804358 IBM Patent Data

Activity (Go SEA)

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