UCSF

ZINC17417731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 20 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) -1.19 -3.08 -10.05 4 9 0 129 281.272 3
Lo Low (pH 4.5-6) -1.19 -2.79 -36.63 5 9 1 130 282.28 3
Lo Low (pH 4.5-6) -1.19 -7.24 -31.06 5 9 1 130 282.28 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0540693A1; EP0540693B1; US5418149; WO1992001814A2; WO2000058329A1 IBM Patent Data

Activity (Go SEA)

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