In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2010 | 16 | Yes |
Popular Name: (2R)-2-(5-ethyl-2-thienyl)-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine (2R)-2-(5-ethyl-2-thienyl)-2-[(3…
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) | 2.30 | 4.7 | -43.18 | 3 | 2 | 1 | 31 | 239.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 6.51 | -30.15 | 3 | 2 | 1 | 30 | 239.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 6.85 | -113.75 | 4 | 2 | 2 | 32 | 240.416 | 4 | ↓ |