In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 36 | 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) | 0.65 | 6.03 | -50.89 | 3 | 10 | 1 | 104 | 500.599 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 3.57 | -17.27 | 2 | 10 | 0 | 103 | 499.591 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 5.89 | -54.16 | 3 | 10 | 1 | 104 | 500.599 | 8 | ↓ |