In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | 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) | 0.06 | 5.76 | -66.84 | 2 | 8 | 1 | 91 | 291.383 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 4.6 | -16.1 | 1 | 8 | 0 | 86 | 290.375 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.