| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 21 | Yes |
Popular Name: (3S)-3-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(3-pyrrolidin-1-ylprop…
| 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) | 1.15 | 6.9 | -165.25 | 5 | 4 | 3 | 40 | 299.527 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 7.34 | -168.39 | 5 | 4 | 3 | 40 | 299.527 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 5.52 | -81.11 | 4 | 4 | 2 | 39 | 298.519 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 8.72 | -298.42 | 6 | 4 | 4 | 41 | 300.535 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
