In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 38 | Yes |
None
None
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) | 4.80 | 11.9 | -19.72 | 0 | 8 | 0 | 91 | 511.53 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 14.77 | -58.49 | 1 | 8 | 1 | 93 | 512.538 | 6 | ↓ |