In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 14 | 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) | 1.72 | 7.27 | -4.19 | 1 | 3 | 0 | 38 | 189.262 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 7.74 | -32.41 | 2 | 3 | 1 | 39 | 190.27 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.