In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 37 | 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) | 1.50 | 9.01 | -77.17 | 3 | 8 | 1 | 91 | 510.634 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 9.34 | -115.51 | 4 | 8 | 2 | 93 | 511.642 | 6 | ↓ |