In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 20 | Yes |
Popular Name: 4-(aminomethyl)-N-butyl-N,5-dimethyl-2-phenyl-pyrazol-3-amine 4-(aminomethyl)-N-butyl-N,5-dime…
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) | 2.66 | 8.32 | -48.18 | 3 | 4 | 1 | 49 | 273.404 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 7.92 | -7.02 | 2 | 4 | 0 | 47 | 272.396 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.66 | 8.33 | -100.68 | 4 | 4 | 2 | 50 | 274.412 | 6 | ↓ |