In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 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) | 2.27 | 8.57 | -34.53 | 4 | 14 | 1 | 187 | 469.486 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 6.35 | -11.09 | 3 | 14 | 0 | 186 | 468.478 | 7 | ↓ |