| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(3-pyridyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(3-…
| 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) | 0.23 | 4.48 | -29.44 | 3 | 3 | 1 | 43 | 206.313 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.23 | 1.61 | -3.52 | 2 | 3 | 0 | 42 | 205.305 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 2.2 | -46.6 | 3 | 3 | 1 | 44 | 206.313 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 3.93 | -120.25 | 4 | 3 | 2 | 45 | 207.321 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
