In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 18 | Yes |
Popular Name: 3-[[(1S,2R)-2-amino-1-(1-methylpyrazol-4-yl)propyl]-isopropyl-amino]propan-1-ol 3-[[(1S,2R)-2-amino-1-(1-methylp…
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) | -0.18 | -1.01 | -48.28 | 4 | 5 | 1 | 69 | 255.386 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.18 | 0.44 | -35.35 | 4 | 5 | 1 | 69 | 255.386 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | 0.76 | -114.97 | 5 | 5 | 2 | 70 | 256.394 | 7 | ↓ |