In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 28 | 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) | 3.09 | 8.71 | -54.23 | 3 | 6 | 1 | 80 | 384.5 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.09 | 6.27 | -22.62 | 2 | 6 | 0 | 78 | 383.492 | 5 | ↓ |