In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 31 | 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) | 0.05 | 5.8 | -64.34 | 3 | 9 | 1 | 102 | 428.561 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.05 | 5.93 | -104 | 4 | 9 | 2 | 103 | 429.569 | 5 | ↓ |