In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 32 | No |
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) | 5.30 | 10.38 | -13.68 | 1 | 6 | 0 | 70 | 491.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.76 | 8.28 | -57.28 | 0 | 6 | -1 | 73 | 490.381 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.