In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 20 | Yes |
Popular Name: 7-[(S)-methylamino(3-thienyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one 7-[(S)-methylamino(3-thienyl)met…
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) | 2.80 | 7.12 | -48.87 | 3 | 3 | 1 | 46 | 287.408 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 6.02 | -7.14 | 2 | 3 | 0 | 41 | 286.4 | 3 | ↓ |