In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 32 | 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) | 1.97 | 12.05 | -179.22 | 0 | 8 | -3 | 155 | 447.504 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 10.11 | -99.4 | 1 | 8 | -2 | 152 | 448.512 | 8 | ↓ |