In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 27 | No |
Popular Name: 3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-5-nitro-1,3-benzoxazole-2-thione 3-[[(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) | 2.19 | 8.67 | -50.17 | 1 | 8 | 1 | 81 | 393.489 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 6.36 | -11.18 | 0 | 8 | 0 | 80 | 392.481 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 8.39 | -48.57 | 1 | 8 | 1 | 81 | 393.489 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.19 | 10.71 | -119.87 | 2 | 8 | 2 | 82 | 394.497 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.