In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 30 | Yes |
Popular Name: (2S)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-1-[4-(4-phenoxybutoxy)phenyl]propan-2-amine (2S)-N-[2-[(2S)-1-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) | 5.20 | 14.22 | -106.22 | 3 | 4 | 2 | 40 | 412.618 | 13 | ↓ |
Hi High (pH 8-9.5) | 5.20 | 13.04 | -33.81 | 2 | 4 | 1 | 35 | 411.61 | 13 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 12.12 | -40.21 | 2 | 4 | 1 | 38 | 411.61 | 13 | ↓ |