In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 32 | 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) | 0.92 | 7.15 | -21.12 | 1 | 9 | 0 | 95 | 439.516 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.92 | 7.63 | -51.04 | 2 | 9 | 1 | 96 | 440.524 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.