In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 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) | 1.35 | 5.59 | -25.18 | 3 | 11 | 0 | 144 | 491.599 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 4.05 | -54.48 | 2 | 11 | -1 | 150 | 490.591 | 10 | ↓ |