In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 15 | 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) | 2.37 | 5.59 | -102.04 | 5 | 3 | 2 | 56 | 213.369 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 3.5 | -32.6 | 4 | 3 | 1 | 55 | 212.361 | 5 | ↓ |