In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 22 | Yes |
Popular Name: 2-ethoxy-4-[[(3S)-3-pyrrolidin-1-yl-1-piperidyl]methyl]phenol 2-ethoxy-4-[[(3S)-3-pyrrolidin-1…
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) | 2.28 | 8.45 | -116.02 | 3 | 4 | 2 | 38 | 306.45 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 3.8 | -5.19 | 1 | 4 | 0 | 36 | 304.434 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.26 | -40.79 | 2 | 4 | 1 | 37 | 305.442 | 5 | ↓ |