In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 38 | 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) | 6.44 | 15.62 | -10.32 | 0 | 5 | 0 | 42 | 507.609 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.44 | 17.83 | -49.25 | 1 | 5 | 1 | 43 | 508.617 | 6 | ↓ |