In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 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) | 1.47 | 4.8 | -54.11 | 2 | 4 | 1 | 56 | 284.133 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 3.34 | -8.25 | 1 | 4 | 0 | 51 | 283.125 | 3 | ↓ |