In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 33 | No |
Popular Name: (2S)-4-hydroxy-2-(4-nitrophenyl)-3-[3-(p-tolylmethoxy)benzoyl]-1,2-dihydropyrrol-5-one (2S)-4-hydroxy-2-(4-nitrophenyl)…
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) | 4.17 | 9.68 | -57.4 | 1 | 8 | -1 | 124 | 443.435 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.17 | 8.91 | -21.28 | 2 | 8 | 0 | 121 | 444.443 | 7 | ↓ |