| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3R)-3-(aminomethyl)-N-cycloheptyl-N-methyl-1,1-dioxo-thian-3-amine (3R)-3-(aminomethyl)-N-cyclohept…
| 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) | 1.42 | 1.25 | -51.12 | 3 | 4 | 1 | 65 | 289.465 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 0.51 | -9.52 | 2 | 4 | 0 | 63 | 288.457 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 2.54 | -44.5 | 3 | 4 | 1 | 65 | 289.465 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 2.94 | -137.82 | 4 | 4 | 2 | 66 | 290.473 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
