In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 20 | No |
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) | 3.68 | 8.63 | -44.5 | 0 | 3 | -1 | 52 | 262.288 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 8.87 | -8.87 | 1 | 3 | 0 | 46 | 263.296 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 8.87 | -8.07 | 1 | 3 | 0 | 48 | 264.304 | 2 | ↓ |