In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 14 | 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) | 1.56 | 2.29 | -39.21 | 3 | 3 | 1 | 46 | 196.27 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 3.06 | -61.43 | 2 | 3 | 0 | 49 | 195.262 | 5 | ↓ |