In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 20 | 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) | 1.04 | 1.33 | -9.61 | 2 | 6 | 0 | 78 | 310.404 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 4.06 | -47.57 | 3 | 6 | 1 | 79 | 311.412 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.