In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 33 | 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) | 1.92 | 6.52 | -75 | 3 | 9 | 1 | 107 | 493.009 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 8.15 | -106.86 | 2 | 9 | 0 | 109 | 492.001 | 8 | ↓ |