In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 20 | Yes |
Popular Name: 1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone 1-[(3S)-3-(dimethylamino)pyrroli…
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) | 1.77 | 7.86 | -46 | 2 | 4 | 1 | 41 | 272.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 5.45 | -12.41 | 1 | 4 | 0 | 39 | 271.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.