UCSF

ZINC53683550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 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) -2.71 -7.69 -148.94 4 9 -2 163 258.119 4
Mid Mid (pH 6-8) -2.71 -8.85 -55.5 5 9 -1 160 259.127 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.34e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0002473A1; EP0007100A2; EP0007102A2; EP0027036A1; EP0036511A1; EP0043181A1; EP0140606A1; EP0140606B1; EP0200056A2; EP0200056B1; EP0200057A2; EP0235655A2; EP0235655B1; EP0238951A2; EP0238951B1; EP0241818A2; EP0241818B1; EP0245481A1; EP0245481B1; EP025352 IBM Patent Data

Activity (Go SEA)

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