In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 23 | 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) | 1.86 | 8.81 | -40.04 | 1 | 5 | 1 | 43 | 319.425 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 6.35 | -12.68 | 0 | 5 | 0 | 42 | 318.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.