| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: (3R)-1-[(3S)-3-(aminomethyl)-1,1-dioxo-thian-3-yl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[(3S)-3-(aminomethyl)-1,1…
| 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) | -0.09 | 0.98 | -109.12 | 4 | 5 | 2 | 69 | 305.488 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -1.85 | -9.34 | 2 | 5 | 0 | 67 | 303.472 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | -1.17 | -46.28 | 3 | 5 | 1 | 68 | 304.48 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
