In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 16 | Yes |
Popular Name: (3S,4R)-3-[(2S)-2-methylpyrrolidin-1-yl]-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-[(2S)-2-methylpyrrolid…
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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) | 1.83 | 5.58 | -108.95 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 2.47 | -1.19 | 1 | 3 | 0 | 24 | 226.364 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 3.6 | -33.61 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 4.38 | -30 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |