In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 21 | 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) | 1.44 | 4.71 | -44.62 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 4.43 | -7.92 | 2 | 4 | 0 | 50 | 289.423 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 7.04 | -103.79 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |