In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2011 | 29 | No |
Popular Name: N-(4-ethoxyphenyl)-3-[[(1R)-1-methylpropyl]amino]-1,4-dioxo-naphthalene-2-carboxamide N-(4-ethoxyphenyl)-3-[[(1R)-1-me…
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) | 4.58 | 9.7 | -7.82 | 2 | 6 | 0 | 85 | 392.455 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 7.74 | -12.39 | 1 | 6 | 0 | 85 | 392.455 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 9.29 | -50.66 | 1 | 6 | -1 | 91 | 391.447 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.