In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | 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) | 0.44 | 1 | -39.88 | 3 | 3 | 1 | 40 | 189.323 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 1.77 | -32.45 | 3 | 3 | 1 | 37 | 189.323 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 3.11 | -110.6 | 4 | 3 | 2 | 41 | 190.331 | 9 | ↓ |