| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: (3S)-3-(aminomethyl)-N-butyl-N-cyclopropyl-1,1-dioxo-thiolan-3-amine (3S)-3-(aminomethyl)-N-butyl-N-c…
| 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) | 0.54 | 0.5 | -9.92 | 2 | 4 | 0 | 63 | 260.403 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 2.5 | -42.81 | 3 | 4 | 1 | 65 | 261.411 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 0.9 | -61.4 | 3 | 4 | 1 | 65 | 261.411 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 2.53 | -143.44 | 4 | 4 | 2 | 66 | 262.419 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
