In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | 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) | 0.93 | 4.74 | -95.09 | 3 | 6 | 2 | 68 | 298.431 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 2.67 | -37.84 | 2 | 6 | 1 | 67 | 297.423 | 7 | ↓ |