| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(3-pyrrolidin…
| 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) | 0.76 | 6.8 | -159.7 | 5 | 4 | 3 | 40 | 285.5 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 5.11 | -81.95 | 4 | 4 | 2 | 39 | 284.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 6.92 | -163.99 | 5 | 4 | 3 | 40 | 285.5 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 8.64 | -286.87 | 6 | 4 | 4 | 41 | 286.508 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
