In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 20 | No |
Popular Name: 4-[[[(2R)-2-methyl-3-(1-piperidyl)propyl]amino]methyl]benzene-1,2-diol 4-[[[(2R)-2-methyl-3-(1-piperidy…
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) | 2.21 | 4.98 | -113.44 | 5 | 4 | 2 | 61 | 280.412 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 3.06 | -48.11 | 4 | 4 | 1 | 60 | 279.404 | 6 | ↓ |