In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 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) | 4.09 | 13.7 | -13.75 | 1 | 7 | 0 | 65 | 406.534 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 14.09 | -28.48 | 2 | 7 | 1 | 66 | 407.542 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 14.05 | -34.49 | 2 | 7 | 1 | 66 | 407.542 | 3 | ↓ |