UCSF

ZINC53683707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 40 No

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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) 1.52 4.28 -48.51 3 11 -1 170 559.636 5
Lo Low (pH 4.5-6) -0.88 5.73 -18.35 3 11 0 164 560.644 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.34e-03 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0626453B1; EP0626454B1; EP0627491A1; EP0627491B1; EP0632132A1; EP0632132B1; EP0693073A1; EP0693073B1; EP0706516A1; EP0748247A1; EP0765400B1; EP0828418A1; EP0889042A1; EP0919244A2; EP0921821A1; EP0929681A1; EP0989136A1; EP1002870A1; EP1023315A1; EP102707 IBM Patent Data

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