In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 20 | Yes |
Popular Name: N-[(1-butyl-5-phenyl-pyrazol-4-yl)methyl]propan-1-amine N-[(1-butyl-5-phenyl-pyrazol-4-y…
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) | 3.86 | 9.42 | -36.7 | 2 | 3 | 1 | 34 | 272.416 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 7.93 | -4.7 | 1 | 3 | 0 | 30 | 271.408 | 8 | ↓ |