In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 32 | 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) | 3.21 | 9.78 | -14.9 | 0 | 7 | 0 | 67 | 467.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.21 | 12.3 | -113.38 | 2 | 7 | 2 | 69 | 469.376 | 4 | ↓ |