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) | -0.36 | 2.42 | -64.41 | 3 | 10 | 1 | 106 | 491.609 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.36 | 4.85 | -119.7 | 4 | 10 | 2 | 107 | 492.617 | 7 | ↓ |