In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2011 | 17 | Yes |
Popular Name: N-(2-pyridyl)-N-(3-thienylmethyl)propane-1,3-diamine N-(2-pyridyl)-N-(3-thienylmethyl…
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) | 1.20 | 6.71 | -94 | 4 | 3 | 2 | 45 | 249.383 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 6.37 | -49.98 | 3 | 3 | 1 | 44 | 248.375 | 6 | ↓ |