In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 22 | 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) | 2.99 | 9.92 | -35.02 | 2 | 4 | 1 | 48 | 296.394 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 9.51 | -19.02 | 1 | 4 | 0 | 47 | 295.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.