| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3R)-3-(aminomethyl)-N-butyl-N-cyclopropyl-1,1-dioxo-thian-3-amine (3R)-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) | 0.81 | 1.53 | -43.62 | 3 | 4 | 1 | 65 | 275.438 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 0.98 | -8.72 | 2 | 4 | 0 | 63 | 274.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 3.08 | -132.87 | 4 | 4 | 2 | 66 | 276.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.6 | -40.72 | 3 | 4 | 1 | 65 | 275.438 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
