In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | 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) | 0.93 | 6.9 | -63.57 | 4 | 8 | 1 | 112 | 482.511 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.31 | -70.62 | 3 | 8 | 0 | 115 | 481.503 | 4 | ↓ |