In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 29 | 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) | 6.17 | 1.12 | -13.2 | 0 | 4 | 0 | 37 | 450.435 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 1.31 | -27.36 | 1 | 4 | 1 | 40 | 451.443 | 8 | ↓ |