| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: N'-cyclopropyl-N-(3,3-dimethylbutyl)-N'-(3-thienylmethyl)ethane-1,2-diamine N'-cyclopropyl-N-(3,3-dimethylbu…
| 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) | 3.10 | 7.62 | -40.64 | 2 | 2 | 1 | 20 | 281.489 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 6.28 | -1.62 | 1 | 2 | 0 | 15 | 280.481 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 9.86 | -121.18 | 3 | 2 | 2 | 21 | 282.497 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
