In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2011 | 17 | No |
Popular Name: (2R)-4-(4-hydroxyphenyl)-2-nitroso-4-oxo-butanehydroxamic (2R)-4-(4-hydroxyphenyl)-2-nitro…
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) | -0.15 | -1.85 | -18.03 | 3 | 7 | 0 | 116 | 238.199 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.04 | -3.4 | -51.11 | 2 | 7 | -1 | 122 | 237.191 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.15 | -0.64 | -55.32 | 2 | 7 | -1 | 119 | 237.191 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.