In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 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) | 2.15 | 5.8 | -31.91 | 3 | 3 | 1 | 40 | 223.34 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.15 | 3.55 | -4.07 | 2 | 3 | 0 | 38 | 222.332 | 6 | ↓ |