| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: (2S)-1-pyrrolidin-1-yl-3-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propan-2-ol (2S)-1-pyrrolidin-1-yl-3-[[(4S)-…
| 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) | 0.97 | 6.06 | -107.79 | 4 | 3 | 2 | 41 | 282.453 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 6.6 | -41 | 3 | 3 | 1 | 44 | 281.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 3.52 | -40.79 | 3 | 3 | 1 | 40 | 281.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
