In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 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) | 1.33 | 7.23 | -26.68 | 2 | 9 | 0 | 115 | 437.938 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 6.03 | -58.84 | 1 | 9 | -1 | 121 | 436.93 | 7 | ↓ |