In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 7.06 | 16.35 | -11.85 | 1 | 4 | 0 | 47 | 473.62 | 7 | ↓ |
Lo Low (pH 4.5-6) | 7.06 | 16.95 | -36.03 | 2 | 4 | 1 | 48 | 474.628 | 7 | ↓ |