UCSF

ZINC00135184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 2.47 1.14 -7.91 0 3 0 30 205.257 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0612797A2; EP0612797A3; US5480947; US5536795; US5545702; US5569726; US5596039; US5646240; US5648446; US5744504; US5869184 IBM Patent Data

Activity (Go SEA)

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