In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 16 | Yes |
Popular Name: 4-(aminomethyl)-N-(1-ethylpropyl)-N,2,5-trimethyl-pyrazol-3-amine 4-(aminomethyl)-N-(1-ethylpropyl…
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) | 1.69 | 5.09 | -42.59 | 3 | 4 | 1 | 49 | 225.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 4.51 | -5.42 | 2 | 4 | 0 | 47 | 224.352 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 4.98 | -23.92 | 3 | 4 | 1 | 48 | 225.36 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 5.23 | -94.81 | 4 | 4 | 2 | 50 | 226.368 | 5 | ↓ |