In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (3S,4S)-N-ethyl-3-[(2R)-2-ethylpyrrolidin-1-yl]chroman-4-amine (3S,4S)-N-ethyl-3-[(2R)-2-ethylp…
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) | 3.21 | 6.89 | -34.07 | 2 | 3 | 1 | 29 | 275.416 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 5.93 | -2.51 | 1 | 3 | 0 | 24 | 274.408 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 8.37 | -104.24 | 3 | 3 | 2 | 30 | 276.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 7.83 | -32.8 | 2 | 3 | 1 | 26 | 275.416 | 4 | ↓ |