In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 33 | 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) | 4.20 | 9.03 | -52.04 | 2 | 7 | 1 | 76 | 442.543 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 6.57 | -15.62 | 1 | 7 | 0 | 74 | 441.535 | 4 | ↓ |