| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | Yes |
Popular Name: N'-cyclopropyl-N-[(1R)-1,4-dimethylpentyl]-N'-(3-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1R)-1,4-dimet…
| 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) | 3.73 | 8.78 | -36.33 | 2 | 2 | 1 | 20 | 295.516 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 7.75 | -1.57 | 1 | 2 | 0 | 15 | 294.508 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 10.86 | -109.83 | 3 | 2 | 2 | 21 | 296.524 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
