In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 27 | 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) | 2.01 | 1.58 | -15.24 | 2 | 7 | 0 | 88 | 411.549 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 3.91 | -59.62 | 3 | 7 | 1 | 89 | 412.557 | 9 | ↓ |