In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 33 | Yes |
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) | 3.40 | 7.36 | -17.1 | 2 | 8 | 0 | 97 | 451.523 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 8.13 | -56.85 | 1 | 8 | -1 | 100 | 450.515 | 10 | ↓ |