In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 18 | 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) | 3.09 | 8.53 | -7.11 | 0 | 4 | 0 | 38 | 306.163 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 8.92 | -35.52 | 1 | 4 | 1 | 40 | 307.171 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.