In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-isopropyl-1-(1-methylpyrazol-4-yl)-N1-pentyl-propane-1,2-diamine (1S,2R)-N1-isopropyl-1-(1-methyl…
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) | 2.12 | 3.95 | -41.35 | 3 | 4 | 1 | 49 | 267.441 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.12 | 5.79 | -107.34 | 4 | 4 | 2 | 50 | 268.449 | 8 | ↓ |