In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 19 | 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) | 0.53 | 4.72 | -104.56 | 3 | 4 | 2 | 47 | 290.473 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 2.46 | -40.04 | 2 | 4 | 1 | 46 | 289.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.