In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 31 | 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) | 3.44 | 12.01 | -12.43 | 0 | 6 | 0 | 58 | 434.565 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 11.78 | -47.18 | 1 | 6 | 1 | 60 | 435.573 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.