In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 21 | 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) | 2.98 | 5.82 | -7.55 | 1 | 4 | 0 | 46 | 310.463 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 6.22 | -24.1 | 2 | 4 | 1 | 47 | 311.471 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.