In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 18 | 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) | 2.43 | 8.2 | -98.51 | 4 | 2 | 2 | 32 | 266.454 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 5.97 | -44.88 | 3 | 2 | 1 | 31 | 265.446 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.