In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 24 | 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) | 2.09 | -0.46 | -15.83 | 3 | 7 | 0 | 105 | 332.356 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 0.3 | -62.91 | 2 | 7 | -1 | 108 | 331.348 | 4 | ↓ |