In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 24 | 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) | 3.48 | 8.64 | -45.61 | 2 | 4 | 1 | 43 | 323.416 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 7.03 | -12.33 | 1 | 4 | 0 | 42 | 322.408 | 3 | ↓ |