In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 19 | Yes |
Popular Name: (3S)-N-[(3-ethoxyphenyl)methyl]-1-isopropyl-pyrrolidin-3-amine (3S)-N-[(3-ethoxyphenyl)methyl]-…
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) | 2.73 | 5.86 | -40.49 | 2 | 3 | 1 | 29 | 263.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 7.07 | -32.88 | 2 | 3 | 1 | 26 | 263.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 4.68 | -3.58 | 1 | 3 | 0 | 24 | 262.397 | 6 | ↓ |