In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 28 | 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) | 2.23 | 6.93 | -119.04 | 0 | 8 | -2 | 117 | 388.372 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 5.8 | -54.68 | 1 | 8 | -1 | 114 | 389.38 | 9 | ↓ |