| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (3S)-1-isopropyl-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidin-3-amine (3S)-1-isopropyl-N-[(2R)-3-methy…
| 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) | 1.95 | 7.97 | -85.43 | 3 | 4 | 2 | 24 | 298.519 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 4.96 | -31.53 | 2 | 4 | 1 | 23 | 297.511 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 3.26 | -0.8 | 1 | 4 | 0 | 22 | 296.503 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.01 | -31.25 | 2 | 4 | 1 | 23 | 297.511 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.38 | -109.2 | 3 | 4 | 2 | 28 | 298.519 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.88 | -103.91 | 3 | 4 | 2 | 28 | 298.519 | 6 | ↓ |
