In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2011 | 24 | No |
Popular Name: N-(butylcarbamoyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide N-(butylcarbamoyl)-2-[(2S)-2-(th…
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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) | 1.17 | 6.49 | -58.21 | 3 | 7 | 1 | 83 | 357.5 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 4.68 | -29.45 | 2 | 7 | 0 | 82 | 356.492 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.