In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 22nd, 2009 | 28 | 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) | 2.95 | 11.28 | -56.09 | 2 | 6 | 1 | 68 | 399.54 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 8.86 | -19.78 | 1 | 6 | 0 | 67 | 398.532 | 5 | ↓ |