| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 14 | No |
Popular Name: (3S)-3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-tetrahydrothiophen-3-amine (3S)-3-(aminomethyl)-N-(cyclobut…
| 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) | 0.91 | 3.87 | -45.38 | 3 | 2 | 1 | 31 | 215.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 3.03 | -1.83 | 2 | 2 | 0 | 29 | 214.378 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 5.55 | -125.54 | 4 | 2 | 2 | 32 | 216.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 5.1 | -31.42 | 3 | 2 | 1 | 30 | 215.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
