In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | Yes |
Popular Name: 3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(5-cyclopropyl-4-methyl-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) | 1.33 | 6.56 | -24.11 | 1 | 7 | 0 | 89 | 349.441 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 6.15 | -44.51 | 0 | 7 | -1 | 91 | 348.433 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.