In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 18 | 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) | 0.83 | 4.02 | -54.03 | 2 | 3 | 1 | 33 | 250.272 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.83 | 2.6 | -6.09 | 1 | 3 | 0 | 28 | 249.264 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 4.44 | -96.8 | 3 | 3 | 2 | 34 | 251.28 | 1 | ↓ |