In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 25 | 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) | 0.03 | 2 | -15.28 | 3 | 9 | 0 | 114 | 343.343 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | -0.84 | -62.09 | 2 | 9 | -1 | 121 | 342.335 | 3 | ↓ |