In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 34 | 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) | 1.36 | 6.99 | -68.74 | 4 | 8 | 1 | 112 | 480.976 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 4.42 | -87.18 | 3 | 8 | 0 | 115 | 479.968 | 4 | ↓ |