In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 32 | 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) | 4.98 | 14.83 | -10.59 | 1 | 7 | 0 | 65 | 455.006 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.98 | 15.21 | -30.49 | 2 | 7 | 1 | 66 | 456.014 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.98 | 15.18 | -32.83 | 2 | 7 | 1 | 66 | 456.014 | 3 | ↓ |