In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 30 | Yes |
Popular Name: 4-methyl-N-[(1S,2R)-2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]butyl]benzamide 4-methyl-N-[(1S,2R)-2-methyl-1-[…
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) | 5.08 | 10.49 | -16.19 | 2 | 6 | 0 | 84 | 422.554 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.26 | 9.42 | -45.01 | 1 | 6 | -1 | 90 | 421.546 | 7 | ↓ |