In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 36 | 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) | 2.94 | 10.72 | -30.01 | 2 | 10 | 0 | 124 | 523.644 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 9.19 | -64.09 | 1 | 10 | -1 | 130 | 522.636 | 10 | ↓ |