In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2010 | 26 | No |
Popular Name: N-[3-chloro-4-(propylcarbamoyl)phenyl]-N'-(4-pyridylmethyl)oxamide N-[3-chloro-4-(propylcarbamoyl)p…
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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) | 1.01 | 3.5 | -12.72 | 3 | 7 | 0 | 100 | 374.828 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.20 | 2.7 | -48.64 | 2 | 7 | -1 | 107 | 373.82 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 3.95 | -46.53 | 4 | 7 | 1 | 101 | 375.836 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.