In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 22 | Yes |
Popular Name: 3,3-dimethyl-N-[5-(2-morpholinoethylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide 3,3-dimethyl-N-[5-(2-morpholinoe…
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) | 2.40 | 4.24 | -14.09 | 1 | 6 | 0 | 67 | 344.506 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 4.12 | -43.71 | 0 | 6 | -1 | 74 | 343.498 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 6.52 | -47.11 | 2 | 6 | 1 | 69 | 345.514 | 7 | ↓ |