In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 18 | Yes |
Popular Name: (2R)-2-[(5-methyl-2-thienyl)methylamino]-1-(1-piperidyl)propan-1-one (2R)-2-[(5-methyl-2-thienyl)meth…
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 | 7.22 | -40.64 | 2 | 3 | 1 | 37 | 267.418 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 6.01 | -8.89 | 1 | 3 | 0 | 32 | 266.41 | 4 | ↓ |