In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 19 | 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) | 2.31 | 7.47 | -39.77 | 3 | 2 | 1 | 31 | 261.433 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 7.14 | -1.07 | 2 | 2 | 0 | 29 | 260.425 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 9.28 | -33.4 | 3 | 2 | 1 | 30 | 261.433 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.31 | 9.5 | -129.5 | 4 | 2 | 2 | 32 | 262.441 | 7 | ↓ |