In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | 3.75 | 8.21 | -30.82 | 2 | 5 | 1 | 59 | 363.485 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 7.55 | -13.63 | 1 | 5 | 0 | 57 | 362.477 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.