In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 30 | 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) | 3.67 | 12.01 | -19.28 | 1 | 7 | 0 | 82 | 437.55 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 10.94 | -46.42 | 0 | 7 | -1 | 88 | 436.542 | 8 | ↓ |