In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 4.08 | 14.57 | -10.25 | 0 | 7 | 0 | 62 | 449.599 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 15.04 | -28.04 | 1 | 7 | 1 | 63 | 450.607 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.08 | 15.01 | -30.81 | 1 | 7 | 1 | 63 | 450.607 | 4 | ↓ |