In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 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) | 5.18 | 16.87 | -10.18 | 0 | 6 | 0 | 53 | 501.597 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.18 | 17.32 | -31.91 | 1 | 6 | 1 | 54 | 502.605 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.18 | 17.28 | -34.16 | 1 | 6 | 1 | 54 | 502.605 | 4 | ↓ |