In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 27 | 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) | 3.29 | 9.84 | -11.14 | 1 | 5 | 0 | 59 | 364.445 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 10.47 | -38.51 | 2 | 5 | 1 | 60 | 365.453 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.