In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 12 | Yes |
Popular Name: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylicacid (2R,4R)-4-aminopyrrolidine-2,4-d…
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CAS Numbers: 169209-63-6 , 171336-80-4
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) | -4.82 | -1.71 | -79.81 | 5 | 6 | 0 | 125 | 174.156 | 2 | ↓ |
Hi High (pH 8-9.5) | -4.82 | -1.32 | -100.02 | 3 | 6 | -2 | 118 | 172.14 | 2 | ↓ |
Mid Mid (pH 6-8) | -4.82 | -1.97 | -69.87 | 4 | 6 | -1 | 123 | 173.148 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.