| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyridazin-3-amine N-[(2S)-3-methyl-2-(4-methylpipe…
| 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) | 1.22 | 4.74 | -38.84 | 2 | 5 | 1 | 45 | 264.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.09 | -7.84 | 1 | 5 | 0 | 44 | 263.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 4.81 | -79.79 | 3 | 5 | 2 | 47 | 265.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 4.64 | -79.59 | 3 | 5 | 2 | 47 | 265.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 4.64 | -39.53 | 2 | 5 | 1 | 45 | 264.397 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 5.73 | -87.56 | 3 | 5 | 2 | 47 | 265.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
