In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 29 | 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) | 3.00 | 7.22 | -59.04 | 1 | 8 | 1 | 74 | 418.543 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 5.35 | -16.08 | 0 | 8 | 0 | 73 | 417.535 | 9 | ↓ |