In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | 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) | 2.90 | 4.79 | -14.63 | 0 | 8 | 0 | 74 | 466.534 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 7.63 | -59.87 | 1 | 8 | 1 | 75 | 467.542 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 7.06 | -56.2 | 1 | 8 | 1 | 75 | 467.542 | 6 | ↓ |