In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2006 | 26 | Yes |
Popular Name: N-(1-adamantyl)-2-[(3-cyano-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]acetamide N-(1-adamantyl)-2-[(3-cyano-5-az…
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) | 4.25 | 9.69 | -12.48 | 1 | 4 | 0 | 66 | 367.518 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.25 | 9.89 | -43.42 | 2 | 4 | 1 | 67 | 368.526 | 4 | ↓ |