In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 16 | 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) | 1.58 | 3.73 | -9.73 | 3 | 4 | 0 | 68 | 210.24 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.58 | 3.84 | -35.22 | 4 | 4 | 1 | 69 | 211.248 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.