In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 18 | Yes |
None
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) | 1.53 | 6.8 | -11.98 | 0 | 6 | 0 | 61 | 240.27 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.53 | 7.26 | -30.51 | 1 | 6 | 1 | 63 | 241.278 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.