In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-methyl-1-[4-[[(1R)-1-(5-methyl-2-thienyl)ethyl]amino]-1-piperidyl]propan-1-one 2-methyl-1-[4-[[(1R)-1-(5-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) | 3.04 | 8.2 | -45.48 | 2 | 3 | 1 | 37 | 295.472 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 7.15 | -9.84 | 1 | 3 | 0 | 32 | 294.464 | 4 | ↓ |