In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2011 | 19 | 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) | 3.03 | 7.53 | -6.7 | 1 | 3 | 0 | 38 | 260.381 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 7.93 | -29.2 | 2 | 3 | 1 | 39 | 261.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.