| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 21 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(1,3,4,5-tet…
| 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) | 1.95 | 4.11 | -42.84 | 3 | 3 | 1 | 34 | 288.459 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 6.63 | -112.17 | 4 | 3 | 2 | 35 | 289.467 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.95 | 8.22 | -232.33 | 5 | 3 | 3 | 37 | 290.475 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
