| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: [(3S)-1-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrrolidin-3-yl]methanamine [(3S)-1-methyl-3-(1,3,4,5-tetrah…
| 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) | 1.28 | 4.19 | -43.55 | 3 | 3 | 1 | 34 | 260.405 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.64 | -110.3 | 4 | 3 | 2 | 35 | 261.413 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 5.89 | -119.23 | 4 | 3 | 2 | 35 | 261.413 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
