In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2009 | 22 | 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) | 4.70 | 10.97 | -32.23 | 1 | 2 | 1 | 8 | 303.514 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.70 | 8.81 | -0.76 | 0 | 2 | 0 | 6 | 302.506 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.70 | 10.63 | -33.01 | 1 | 2 | 1 | 8 | 303.514 | 3 | ↓ |