In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 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) | 2.03 | 3.34 | -66.48 | 1 | 10 | -1 | 147 | 447.836 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 0.88 | -130.11 | 0 | 10 | -2 | 150 | 446.828 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.