In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2010 | 29 | Yes |
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) | 3.77 | 10.7 | -56.49 | 1 | 4 | 1 | 33 | 419.565 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 8.61 | -9.27 | 0 | 4 | 0 | 32 | 418.557 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 11.1 | -49.32 | 1 | 4 | 1 | 33 | 419.565 | 6 | ↓ |