In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2006 | 23 | Yes |
Popular Name: 5-oxo-5-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)phenyl]amino-pentanoic 5-oxo-5-[4-(4-thia-1,6-diazabicy…
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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) | 2.18 | 9.08 | -60.38 | 1 | 6 | -1 | 87 | 328.373 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.18 | 7.11 | -22.78 | 2 | 6 | 0 | 84 | 329.381 | 6 | ↓ |