In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2011 | 25 | No |
Popular Name: N-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-N'-(4-pyridylmethyl)oxamide N-[2-[(1S)-2-cyano-1-methyl-ethy…
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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) | 0.54 | 6.09 | -15.26 | 2 | 6 | 0 | 95 | 354.435 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 5.29 | -54.72 | 1 | 6 | -1 | 101 | 353.427 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 6.55 | -46.04 | 3 | 6 | 1 | 96 | 355.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.