In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 31 | 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) | 2.20 | 3.81 | -20.07 | 1 | 10 | 0 | 131 | 443.485 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 3.33 | -53.49 | 0 | 10 | -1 | 130 | 442.477 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.