| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | No |
Popular Name: (4S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]isothiochroman-4-amine (4S)-N-[[(2S)-1-ethylpyrrolidin-…
| 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) | 2.78 | 8.22 | -36.79 | 2 | 2 | 1 | 20 | 277.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 8.8 | -34.04 | 2 | 2 | 1 | 16 | 277.457 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 10.01 | -120.22 | 3 | 2 | 2 | 21 | 278.465 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
