In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2010 | 18 | Yes |
Popular Name: 3-[5-[[(2R,4S)-2,4-dimethyl-1-piperidyl]methyl]-3-thienyl]prop-2-yn-1-ol 3-[5-[[(2R,4S)-2,4-dimethyl-1-pi…
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) | 2.62 | 7.12 | -35.39 | 2 | 2 | 1 | 25 | 264.414 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.62 | 4.97 | -6.42 | 1 | 2 | 0 | 23 | 263.406 | 2 | ↓ |