In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 19 | Yes |
Popular Name: 2-[[4-[(1R)-2-(diethylamino)-1-methyl-ethyl]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-2-(diethylamino)-1-m…
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) | 0.86 | 9.16 | -67.54 | 1 | 6 | 0 | 75 | 286.401 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 7.01 | -48.28 | 0 | 6 | -1 | 74 | 285.393 | 8 | ↓ |