| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 20 | No |
Popular Name: 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carbothioamide 2-[(2S)-2-(hydroxymethyl)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) | 2.17 | 4.15 | -14.69 | 3 | 4 | 0 | 62 | 287.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 4.53 | -33.42 | 4 | 4 | 1 | 64 | 288.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
