In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 31 | 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) | -0.65 | 4.63 | -63.48 | 2 | 12 | -1 | 170 | 469.477 | 9 | ↓ |
Hi High (pH 8-9.5) | -0.47 | 4.99 | -108.15 | 1 | 12 | -2 | 177 | 468.469 | 9 | ↓ |