In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 22 | Yes |
Popular Name: 1-(3-acetylphenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea 1-(3-acetylphenyl)-3-(3-prop-2-y…
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) | 2.62 | 5.98 | -18.58 | 2 | 6 | 0 | 84 | 332.41 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 4.3 | -53.33 | 1 | 6 | -1 | 90 | 331.402 | 6 | ↓ |