In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 24 | Yes |
Popular Name: (2S)-2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-furylmethyl)propanamide (2S)-2-[4-[2-(cyclopropylamino)-…
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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) | 0.17 | -3.68 | -8.83 | 2 | 7 | 0 | 85 | 334.42 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 3.2 | -41.08 | 3 | 7 | 1 | 79 | 335.428 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 0.97 | -12.01 | 2 | 7 | 0 | 78 | 334.42 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.30 | 3.15 | -40.14 | 3 | 7 | 1 | 79 | 335.428 | 7 | ↓ |