| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | No |
Popular Name: (4R)-N-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]isothiochroman-4-amine (4R)-N-[(2S)-3-methyl-2-pyrrolid…
| 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) | 3.53 | 8.64 | -37.64 | 2 | 2 | 1 | 20 | 305.511 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.53 | 9.8 | -34.07 | 2 | 2 | 1 | 16 | 305.511 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 10.64 | -122.67 | 3 | 2 | 2 | 21 | 306.519 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
