In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 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) | 3.62 | 10.55 | -12.19 | 0 | 5 | 0 | 50 | 401.51 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 12.89 | -51.22 | 1 | 5 | 1 | 51 | 402.518 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.