In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 36 | 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 | 9.06 | -21.3 | 1 | 9 | 0 | 91 | 493.608 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 9.54 | -51.6 | 2 | 9 | 1 | 92 | 494.616 | 10 | ↓ |