In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2011 | 15 | Yes |
Popular Name: N-[(1-but-3-enyl-5-methyl-pyrazol-4-yl)methyl]propan-2-amine N-[(1-but-3-enyl-5-methyl-pyrazo…
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) | 1.68 | 6.21 | -38.02 | 2 | 3 | 1 | 34 | 208.329 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 4.98 | -5.04 | 1 | 3 | 0 | 30 | 207.321 | 6 | ↓ |