In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 21 | Yes |
Popular Name: (3S)-1-cyclopropyl-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-amine (3S)-1-cyclopropyl-N-[(1R)-1-(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) | 2.61 | 5.06 | -35.58 | 2 | 4 | 1 | 38 | 291.415 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 4.25 | -4.62 | 1 | 4 | 0 | 34 | 290.407 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.61 | 6.6 | -33.27 | 2 | 4 | 1 | 35 | 291.415 | 6 | ↓ |