| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (3S,4R)-3-(4-isopropylpiperazin-1-yl)-N-methyl-chroman-4-amine (3S,4R)-3-(4-isopropylpiperazin-…
| 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) | 2.13 | 7.39 | -98.85 | 3 | 4 | 2 | 34 | 291.439 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.2 | -39.03 | 2 | 4 | 1 | 32 | 290.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 2.03 | -3.06 | 1 | 4 | 0 | 28 | 289.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 5.25 | -33.1 | 2 | 4 | 1 | 29 | 290.431 | 3 | ↓ |
