UCSF

ZINC08216590

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) -4.93 -9.76 -417.09 17 12 5 225 454.589 6
Hi High (pH 8-9.5) -4.93 -11.39 -104.86 14 12 2 217 451.565 6
Hi High (pH 8-9.5) -4.93 -11.69 -131.76 14 12 2 217 451.565 6
Mid Mid (pH 6-8) -4.93 -10.01 -277.63 16 12 4 223 453.581 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.05e+01 g/l DrugBank-experimental
UniProt Database Links AAC2_PROST ChEBI
Patent Database Links EP0807439; EP0995437; EP1452533; EP1754712; EP1764104; GB2103617; US2006100291; US2006235023; US2008255073; US2008261900; WO2005020894; WO2006005137; WO2006078711 ChEBI

Activity (Go SEA)

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