In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 19 | 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) | 2.25 | 6.04 | -53.62 | 3 | 4 | 1 | 55 | 263.361 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.69 | -11.36 | 2 | 4 | 0 | 50 | 262.353 | 5 | ↓ |