In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 34 | 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) | 3.79 | 12.15 | -22.9 | 0 | 6 | 0 | 53 | 461.606 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.79 | 14.51 | -62.68 | 1 | 6 | 1 | 54 | 462.614 | 5 | ↓ |