| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | No |
Popular Name: (4R)-N-[3-(4-methylpiperazin-1-yl)propyl]isothiochroman-4-amine (4R)-N-[3-(4-methylpiperazin-1-y…
| 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) | 2.18 | 8.17 | -92.68 | 3 | 3 | 2 | 24 | 307.507 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 4.99 | -3.35 | 1 | 3 | 0 | 19 | 305.491 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 8.07 | -114.81 | 3 | 3 | 2 | 24 | 307.507 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.8 | -43.39 | 2 | 3 | 1 | 23 | 306.499 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
