In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 34 | 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) | 3.99 | 15.6 | -54.45 | 1 | 6 | 1 | 66 | 458.561 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 13.76 | -12.89 | 0 | 6 | 0 | 65 | 457.553 | 4 | ↓ |