In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 24 | 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) | 0.74 | 6.49 | -87.38 | 3 | 7 | 2 | 73 | 335.452 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.74 | 4.86 | -13.61 | 1 | 7 | 0 | 70 | 333.436 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 5.26 | -37.85 | 2 | 7 | 1 | 72 | 334.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 6.39 | -34.72 | 2 | 7 | 1 | 72 | 334.444 | 6 | ↓ |