In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 1.55 | 7.24 | -77.97 | 3 | 8 | 1 | 93 | 508.565 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 7.37 | -116.63 | 4 | 8 | 2 | 94 | 509.573 | 7 | ↓ |