In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 25 | No |
None
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) | 1.94 | 8.11 | -41.68 | 1 | 6 | 1 | 52 | 361.853 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 7.67 | -14.18 | 0 | 6 | 0 | 51 | 360.845 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.