| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: (3S,4S)-N3-methyl-N3-[(1-methylpyrazol-4-yl)methyl]chromane-3,4-diamine (3S,4S)-N3-methyl-N3-[(1-methylp…
| 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) | -0.91 | 3.19 | -50.66 | 3 | 5 | 1 | 58 | 273.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | 2.9 | -7.97 | 2 | 5 | 0 | 56 | 272.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.91 | 5.11 | -136.96 | 4 | 5 | 2 | 59 | 274.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
