In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 15 | 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) | 1.16 | 4.4 | -94.73 | 4 | 3 | 2 | 41 | 216.369 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 3.04 | -32.25 | 3 | 3 | 1 | 37 | 215.361 | 6 | ↓ |