| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 16 | Yes |
Popular Name: (1S)-N-cyclopropyl-N-propyl-1-(2-pyridyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-propyl-1-(2…
| 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) | 0.80 | 5.97 | -24.15 | 3 | 3 | 1 | 43 | 220.34 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.7 | -2.35 | 2 | 3 | 0 | 42 | 219.332 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 6.28 | -116.21 | 4 | 3 | 2 | 45 | 221.348 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 4.05 | -43.34 | 3 | 3 | 1 | 44 | 220.34 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 2.98 | -100.12 | 4 | 3 | 2 | 45 | 221.348 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
