In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 24 | 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) | 4.64 | 7.68 | -89.36 | 3 | 4 | 2 | 52 | 326.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 9.62 | -50.62 | 2 | 4 | 1 | 47 | 325.432 | 7 | ↓ |