In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 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) | 0.12 | 8.02 | -68.37 | 4 | 4 | 1 | 72 | 267.393 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 7.8 | -41.7 | 3 | 4 | 0 | 71 | 266.385 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.