In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 15 | 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) | 1.96 | 6.76 | -109.88 | 4 | 2 | 2 | 32 | 206.333 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.96 | 6.5 | -32.37 | 3 | 2 | 1 | 30 | 205.325 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 4.67 | -35.86 | 3 | 2 | 1 | 31 | 205.325 | 5 | ↓ |