In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 27 | 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) | 2.09 | 10.53 | -52.19 | 2 | 7 | 1 | 69 | 369.493 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 7.99 | -19.69 | 1 | 7 | 0 | 68 | 368.485 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.