In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 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) | 2.93 | 6.34 | -25.36 | 4 | 8 | 0 | 122 | 454.486 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 7.11 | -65.43 | 3 | 8 | -1 | 124 | 453.478 | 7 | ↓ |