In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 0.03 | 4.16 | -90.31 | 4 | 7 | 1 | 100 | 375.445 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 1.27 | -55.38 | 2 | 7 | -1 | 94 | 373.429 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 3.01 | -89.92 | 3 | 7 | 0 | 95 | 374.437 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 2.41 | -36.45 | 3 | 7 | 0 | 99 | 374.437 | 4 | ↓ |