In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 16 | Yes |
Popular Name: N',N'-dimethyl-N-[(1S)-1-(2-thienyl)propyl]butane-1,4-diamine N',N'-dimethyl-N-[(1S)-1-(2-thie…
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) | 3.03 | 8.59 | -89.69 | 3 | 2 | 2 | 21 | 242.432 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 7.18 | -34.09 | 2 | 2 | 1 | 16 | 241.424 | 8 | ↓ |