In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 22 | No |
Popular Name: (2S)-5-cyano-6-hydroxy-3-phenyl-2-(3-pyridyl)-2H-pyrimidine-4-thiolate (2S)-5-cyano-6-hydroxy-3-phenyl-…
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) | 1.62 | 7.11 | -46.12 | 1 | 5 | -1 | 69 | 307.358 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 4.52 | -109.83 | 0 | 5 | -2 | 75 | 306.35 | 2 | ↓ |