In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2011 | 24 | Yes |
Popular Name: (8S)-8-(2-methoxy-3-pyridyl)-2-pyrrolidin-1-yl-4,5,7,8-tetrahydrothiazolo[4,5-c]azepin-6-one (8S)-8-(2-methoxy-3-pyridyl)-2-p…
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) | 1.66 | 4.16 | -12.72 | 1 | 6 | 0 | 67 | 344.44 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 4.58 | -37.12 | 2 | 6 | 1 | 69 | 345.448 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.