In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 27 | 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) | 1.55 | 10.02 | -45.13 | 2 | 6 | 1 | 61 | 369.489 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 7.94 | -11.28 | 1 | 6 | 0 | 60 | 368.481 | 3 | ↓ |