In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2011 | 25 | 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) | 2.63 | 8.45 | -19.3 | 1 | 5 | 0 | 68 | 337.375 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 7.07 | -46.34 | 0 | 5 | -1 | 71 | 336.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.