In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 28 | Yes |
Popular Name: 4-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one 4-[[(3S)-3-(morpholinomethyl)-1-…
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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) | 2.79 | 8.74 | -10.42 | 0 | 5 | 0 | 46 | 382.504 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 10.97 | -56.16 | 1 | 5 | 1 | 47 | 383.512 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 10.73 | -50.4 | 1 | 5 | 1 | 47 | 383.512 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 12.96 | -129.92 | 2 | 5 | 2 | 48 | 384.52 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.