In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | Yes |
Popular Name: 3-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]benzamidine 3-[[(3S,5R)-3,5-dimethyl-1-piper…
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) | 1.73 | 7.19 | -89.11 | 5 | 3 | 2 | 56 | 247.386 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 7.36 | -37.88 | 4 | 3 | 1 | 54 | 246.378 | 3 | ↓ |