| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 25 | No |
Popular Name: 5-[(3S)-dithiolan-3-yl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]pentanamide 5-[(3S)-dithiolan-3-yl]-N-[6-(4-…
| 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) | 3.08 | 10.33 | -46.24 | 2 | 5 | 1 | 50 | 381.591 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 10.63 | -103.56 | 3 | 5 | 2 | 51 | 382.599 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.87 | -14.46 | 1 | 5 | 0 | 48 | 380.583 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 8.16 | -41.04 | 2 | 5 | 1 | 50 | 381.591 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
