In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2011 | 21 | No |
Popular Name: 3-[3-[[(1S)-2,2-dimethyl-1-(2-thienyl)propyl]amino]propyl]imidazolidine-2,4-dione 3-[3-[[(1S)-2,2-dimethyl-1-(2-th…
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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) | 2.42 | 5.46 | -40.36 | 3 | 5 | 1 | 66 | 310.443 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.4 | -9.76 | 2 | 5 | 0 | 61 | 309.435 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.