| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(2-pyrazol-1-…
| 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) | 0.13 | 4.64 | -94.48 | 4 | 5 | 2 | 53 | 267.421 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 2.85 | -46.37 | 3 | 5 | 1 | 52 | 266.413 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 4.54 | -109.38 | 4 | 5 | 2 | 53 | 267.421 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | 6.36 | -202.51 | 5 | 5 | 3 | 54 | 268.429 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
