| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (1S,2R)-N1-(cyclopropylmethyl)-N1-ethyl-1-(1-methylpyrazol-4-yl)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) | 1.29 | 4.36 | -43.44 | 3 | 4 | 1 | 49 | 251.398 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.29 | 4.06 | -4.28 | 2 | 4 | 0 | 47 | 250.39 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.6 | -33.39 | 3 | 4 | 1 | 48 | 251.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.87 | -110.45 | 4 | 4 | 2 | 50 | 252.406 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
