In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2011 | 18 | No |
Popular Name: (3S)-1,1-dioxo-N-propyl-N-(2-pyrazol-1-ylethyl)thiolan-3-amine (3S)-1,1-dioxo-N-propyl-N-(2-pyr…
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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) | 0.82 | 2.1 | -15.41 | 0 | 5 | 0 | 55 | 271.386 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 4.05 | -58.71 | 1 | 5 | 1 | 56 | 272.394 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.