In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 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) | 0.19 | 2.01 | -106.41 | 5 | 3 | 2 | 47 | 225.311 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.19 | 0.64 | -47.28 | 4 | 3 | 1 | 43 | 224.303 | 3 | ↓ |