In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1R)-N-ethyl-1-(4-isopropoxyphenyl)-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine (1R)-N-ethyl-1-(4-isopropoxyphen…
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) | 3.76 | 10.01 | -121.67 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 8.95 | -37.08 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.76 | 7.88 | -35.09 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |