In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 30 | Yes |
None
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) | 0.15 | 0.82 | -50.84 | 5 | 9 | 1 | 118 | 438.574 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.15 | -1.42 | -22.8 | 4 | 9 | 0 | 117 | 437.566 | 9 | ↓ |
Lo Low (pH 4.5-6) | 0.15 | 0.9 | -47.41 | 5 | 9 | 1 | 118 | 438.574 | 9 | ↓ |