In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 34 | No |
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) | 4.50 | 12.65 | -66.57 | 1 | 6 | 0 | 74 | 468.569 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.50 | 10.44 | -55.43 | 0 | 6 | -1 | 73 | 467.561 | 11 | ↓ |