In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 16 | 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) | 2.15 | 5.53 | -23.97 | 3 | 4 | 1 | 48 | 223.344 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 5.41 | -4.83 | 2 | 4 | 0 | 47 | 222.336 | 2 | ↓ |