In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 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) | 0.40 | 1.21 | -39.29 | 4 | 4 | 1 | 55 | 222.312 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.40 | -0.14 | -4.91 | 3 | 4 | 0 | 51 | 221.304 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.40 | 1.07 | -89.15 | 5 | 4 | 2 | 57 | 223.32 | 4 | ↓ |