In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 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) | 1.20 | 4.81 | -10.23 | 3 | 5 | 0 | 67 | 258.325 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 3.55 | -53.65 | 3 | 5 | 1 | 65 | 259.333 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.