UCSF

ZINC03978360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 20 No

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) 4.32 2.35 -4.41 0 1 0 17 272.432 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0066001A1; EP0246650A1; EP0246650B1; EP0288102A1; EP0356454A1; EP0356454B1; US3384543; US4101545; US4110326; US4150126; US4177190; US4278668; US4451460; US4668455; US4891366; US4898694; US5001234; US5157031; US5583228; US5656621; US5696106; US5700793; U IBM Patent Data

Activity (Go SEA)

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