| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(1S)-1…
| 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) | 1.54 | 4.93 | -51.63 | 4 | 4 | 1 | 70 | 320.825 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 4.51 | -7.63 | 3 | 4 | 0 | 68 | 319.817 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
