In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 23 | No |
Popular Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3,3-dimethyl-butanamide N-[5-(4-allyl-5-thioxo-1H-1,2,4-…
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) | 3.49 | 9.19 | -52.17 | 1 | 6 | -1 | 73 | 350.493 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 9.35 | -19.1 | 2 | 6 | 0 | 76 | 351.501 | 6 | ↓ |