In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 23 | 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) | 2.63 | 9.74 | -36.63 | 1 | 6 | 1 | 57 | 332.453 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.63 | 7.32 | -12.66 | 0 | 6 | 0 | 56 | 331.445 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.