In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 18 | Yes |
Popular Name: (3R,4S)-5,5-dimethyl-4-(4-propylpiperazin-1-yl)hexan-3-amine (3R,4S)-5,5-dimethyl-4-(4-propyl…
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) | 2.54 | 6.11 | -92.58 | 4 | 3 | 2 | 35 | 257.466 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 3.87 | -39.85 | 3 | 3 | 1 | 34 | 256.458 | 6 | ↓ |