In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: (2R)-2-(3,5-dimethylphenyl)-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine (2R)-2-(3,5-dimethylphenyl)-2-[(…
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) | 2.43 | 7.5 | -117.29 | 4 | 2 | 2 | 32 | 234.387 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 5.33 | -42.25 | 3 | 2 | 1 | 31 | 233.379 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 7.12 | -31.75 | 3 | 2 | 1 | 30 | 233.379 | 3 | ↓ |