| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | No |
Popular Name: N'-cyclopropyl-N-(2-methylsulfonylethyl)-N'-(2-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-(2-methylsulfon…
| 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) | 0.84 | 3.62 | -44.68 | 2 | 4 | 1 | 51 | 303.473 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 1.55 | -13.43 | 1 | 4 | 0 | 49 | 302.465 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 2.91 | -56.07 | 2 | 4 | 1 | 54 | 303.473 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 4.97 | -132.93 | 3 | 4 | 2 | 55 | 304.481 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
