In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 18 | Yes |
Popular Name: (2R)-1-(2,4-dichlorophenyl)-3-(4-pyridyl)propan-2-amine (2R)-1-(2,4-dichlorophenyl)-3-(4…
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) | 2.78 | 6.9 | -52.1 | 3 | 2 | 1 | 41 | 282.194 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 6.6 | -6.19 | 2 | 2 | 0 | 39 | 281.186 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 7.36 | -108.1 | 4 | 2 | 2 | 42 | 283.202 | 4 | ↓ |