| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2009 | 21 | Yes |
Popular Name: (2S)-2-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-[(5-methyl-1H…
| 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) | -0.50 | 0.32 | -56.04 | 4 | 7 | 1 | 97 | 316.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.50 | 1.82 | -125.28 | 5 | 7 | 2 | 98 | 317.459 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
