In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 20 | Yes |
Popular Name: N-[(S)-3-pyridyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(S)-3-pyridyl(4,5,6,7-tetrahy…
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) | 2.82 | 7.51 | -37.25 | 2 | 3 | 1 | 42 | 288.44 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 6.38 | -7.26 | 1 | 3 | 0 | 38 | 287.432 | 5 | ↓ |