UCSF

ZINC56897656

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) 9.48 22.22 -146.71 4 2 2 33 599.004 9
Hi High (pH 8-9.5) 9.48 19.99 -2.49 2 2 0 24 596.988 9
Mid Mid (pH 6-8) 9.48 21.07 -46.62 3 2 1 29 597.996 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0003422A1; EP0007477A1; EP0008003A1; EP0021766A2; EP0022219A1; EP0024852A1; EP0041711A1; EP0053902A1; EP0063896A1; EP0067429A1; EP0069097A2; EP0083172A2; EP0094687A1; EP0096583A2; EP0097050A1; EP0097534A2; EP0099785A2; EP0104468A1; EP0114632A1; EP012412 IBM Patent Data

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