In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 29 | 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) | 1.64 | 5.94 | -49.28 | 2 | 7 | 1 | 60 | 400.547 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 3.64 | -16.22 | 1 | 7 | 0 | 59 | 399.539 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 5.96 | -54.34 | 2 | 7 | 1 | 60 | 400.547 | 5 | ↓ |