In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | Yes |
Popular Name: 2,4-dichloro-6-[[3-(1-piperidyl)propylamino]methyl]phenol 2,4-dichloro-6-[[3-(1-piperidyl)…
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) | 3.70 | 6.14 | -36.36 | 3 | 3 | 1 | 37 | 318.268 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 6.82 | -48.01 | 2 | 3 | 0 | 40 | 317.26 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 6.05 | -31.03 | 2 | 3 | 0 | 43 | 317.26 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 8.33 | -79.18 | 3 | 3 | 1 | 44 | 318.268 | 6 | ↓ |