In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 21 | Yes |
Popular Name: 7-[(R)-methylamino-(3-methyl-2-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(R)-methylamino-(3-methyl-2-t…
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) | 3.49 | 7.87 | -45.49 | 3 | 3 | 1 | 46 | 301.435 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.49 | 6.57 | -8.04 | 2 | 3 | 0 | 41 | 300.427 | 3 | ↓ |