In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 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) | 3.28 | 7.3 | -9.83 | 2 | 3 | 0 | 48 | 298.773 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 7.74 | -28.43 | 3 | 3 | 1 | 49 | 299.781 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.