UCSF

ZINC00478177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Other Names:

MFCD05739533

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) 3.50 0.18 -6.46 1 3 0 38 255.317 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0688324A1; US4401594; US5994342 IBM Patent Data
PUBCHEM_PATENT_ID WO1993012091A1 IBM Patent Data

Activity (Go SEA)

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