In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2011 | 32 | No |
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) | 7.72 | 17.5 | -8.34 | 0 | 4 | 0 | 44 | 442.584 | 5 | ↓ |
Mid Mid (pH 6-8) | 7.72 | 17.47 | -21.7 | 1 | 4 | 1 | 45 | 443.592 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.