In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 33 | 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) | 1.38 | 8.27 | -22.7 | 0 | 9 | 0 | 86 | 448.479 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 8.78 | -49.19 | 1 | 9 | 1 | 87 | 449.487 | 4 | ↓ |