In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 30 | 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) | 3.04 | 10.42 | -51.77 | 3 | 6 | 1 | 76 | 421.546 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 8.14 | -15.02 | 2 | 6 | 0 | 74 | 420.538 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.