In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 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) | 1.74 | 4.32 | -28.82 | 2 | 2 | 1 | 16 | 197.346 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 3.72 | -39.46 | 2 | 2 | 1 | 20 | 197.346 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 5.74 | -98.32 | 3 | 2 | 2 | 21 | 198.354 | 1 | ↓ |