| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | Yes |
Popular Name: N'-cyclopropyl-N-[(1S)-1-methylbutyl]-N'-(2-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-[(1S)-1-methylb…
| 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) | 3.56 | 7.51 | -37.46 | 2 | 2 | 1 | 20 | 267.462 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 6.34 | -1.83 | 1 | 2 | 0 | 15 | 266.454 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 9.86 | -115.9 | 3 | 2 | 2 | 21 | 268.47 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
