In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 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) | 3.44 | 9.32 | -39.43 | 2 | 5 | 1 | 44 | 369.464 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 6.84 | -6.7 | 1 | 5 | 0 | 42 | 368.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 8.24 | -44.54 | 2 | 5 | 1 | 47 | 369.464 | 8 | ↓ |