| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | No |
Popular Name: 4-(1-cyclopropylaminoethylidene)-5-methyl-2-(4-nitrophenyl)-pyrazol-3-one 4-(1-cyclopropylaminoethylidene)…
| 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) | 1.80 | 7.91 | -14.28 | 1 | 7 | 0 | 93 | 300.318 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | -0.31 | -44 | 1 | 7 | 1 | 92 | 301.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 6.63 | -34.29 | 0 | 7 | -1 | 99 | 299.31 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 6.85 | -24.24 | 1 | 7 | 0 | 96 | 300.318 | 4 | ↓ |
