In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | 1.91 | 8.26 | -15.51 | 0 | 5 | 0 | 44 | 343.471 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 10.62 | -48.1 | 1 | 5 | 1 | 45 | 344.479 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.