In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (1S)-N-[(5-chloro-2-thienyl)methyl]-1-(3,5-dimethylphenyl)-N-methyl-ethane-1,2-diamine (1S)-N-[(5-chloro-2-thienyl)meth…
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) | 3.65 | 7.36 | -53.02 | 3 | 2 | 1 | 31 | 309.886 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.65 | 9.06 | -126.26 | 4 | 2 | 2 | 32 | 310.894 | 5 | ↓ |