In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (3R,4S)-N-ethyl-3-[(3S)-3-methylpyrrolidin-1-yl]chroman-4-amine (3R,4S)-N-ethyl-3-[(3S)-3-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) | 2.82 | 7.16 | -35.32 | 2 | 3 | 1 | 29 | 261.389 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 3.94 | -2.91 | 1 | 3 | 0 | 24 | 260.381 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 7.56 | -114.8 | 3 | 3 | 2 | 30 | 262.397 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 6.51 | -36.11 | 2 | 3 | 1 | 26 | 261.389 | 3 | ↓ |