In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | -0.38 | 5.93 | -69.18 | 4 | 10 | 1 | 132 | 495.604 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 3.4 | -77.51 | 3 | 10 | 0 | 135 | 494.596 | 4 | ↓ |