In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-methyl-N1-[(1S)-1-(2-thienyl)ethyl]propane-1,2-diamine (1S,2R)-1-(4-chlorophenyl)-N1-me…
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) | 3.67 | 6.37 | -44.88 | 3 | 2 | 1 | 31 | 309.886 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 7.68 | -109.16 | 4 | 2 | 2 | 32 | 310.894 | 5 | ↓ |