In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 5th, 2008 | 24 | Yes |
Popular Name: (2S)-2-[[5-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-propan-1-one (2S)-2-[[5-(4-ethylphenyl)-4H-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) | 2.90 | 7.54 | -16.54 | 1 | 6 | 0 | 71 | 346.456 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 7.45 | -45.75 | 0 | 6 | -1 | 69 | 345.448 | 5 | ↓ |