In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 19 | Yes |
Popular Name: 2-[[4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-[(1R)-1-methyl-2-morpholin…
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) | -0.14 | 5.7 | -47.56 | 0 | 7 | -1 | 83 | 285.349 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.14 | 7.87 | -66.43 | 1 | 7 | 0 | 85 | 286.357 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.