In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 23 | 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) | 2.15 | 5.51 | -10.12 | 1 | 5 | 0 | 51 | 318.417 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 7.67 | -42.89 | 2 | 5 | 1 | 52 | 319.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.