In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 30 | No |
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) | 4.49 | 8.19 | -8.98 | 0 | 6 | 0 | 61 | 472.335 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.49 | 10.63 | -45.68 | 1 | 6 | 1 | 62 | 473.343 | 3 | ↓ |