In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(4-methoxyphenyl)butan-2-amine (2S)-N-[[(2S)-1-ethylpyrrolidin-…
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) | 3.60 | 8.21 | -40.5 | 2 | 3 | 1 | 29 | 291.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 8.98 | -33.59 | 2 | 3 | 1 | 26 | 291.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 10.01 | -120.41 | 3 | 3 | 2 | 30 | 292.467 | 8 | ↓ |