In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2008 | 20 | Yes |
Popular Name: (3R)-3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine (3R)-3-(4-methylsulfanylphenyl)-…
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) | 2.68 | 4.05 | -17.37 | 2 | 4 | 0 | 58 | 306.412 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.68 | 3.64 | -45.16 | 1 | 4 | -1 | 60 | 305.404 | 2 | ↓ |