In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 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) | 2.90 | 6.05 | -103.09 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 3.74 | -44.61 | 3 | 3 | 1 | 34 | 268.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 5.51 | -127.36 | 4 | 3 | 2 | 35 | 269.477 | 4 | ↓ |