| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (1S,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(4-pyridyl)butane-1,2-diamine (1S,2R)-N1-(cyclopropylmethyl)-N…
| 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) | 1.62 | 4.85 | -42.73 | 3 | 3 | 1 | 44 | 248.394 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 4.55 | -2.92 | 2 | 3 | 0 | 42 | 247.386 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 6.11 | -114.2 | 4 | 3 | 2 | 45 | 249.402 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.81 | -34.65 | 3 | 3 | 1 | 43 | 248.394 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
