In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 16 | 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) | 0.80 | 6.48 | -106.62 | 3 | 4 | 1 | 61 | 229.344 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 5.07 | -62.21 | 2 | 4 | 0 | 57 | 228.336 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 4.28 | -55.39 | 2 | 4 | 0 | 60 | 228.336 | 7 | ↓ |