In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 19 | No |
Popular Name: N-[(3R)-1,1-dioxothian-3-yl]-1-isopropyl-3,5-dimethyl-pyrazol-4-amine N-[(3R)-1,1-dioxothian-3-yl]-1-i…
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) | 1.81 | 3.24 | -16.31 | 1 | 5 | 0 | 64 | 285.413 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 3.38 | -36.15 | 2 | 5 | 1 | 65 | 286.421 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.