In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2010 | 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) | 3.87 | 8.97 | -42.44 | 2 | 1 | 1 | 17 | 224.343 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 7.83 | -2.78 | 1 | 1 | 0 | 12 | 223.335 | 7 | ↓ |