In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | 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) | 1.60 | 9.42 | -99.9 | 3 | 5 | 2 | 42 | 295.475 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 6.99 | -36.07 | 2 | 5 | 1 | 41 | 294.467 | 9 | ↓ |