In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2010 | 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) | -4.50 | 1.25 | -152.62 | 15 | 13 | 2 | 258 | 445.569 | 15 | ↓ |
Hi High (pH 8-9.5) | -4.50 | 0.94 | -88.34 | 14 | 13 | 1 | 256 | 444.561 | 15 | ↓ |