In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 23 | 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) | 0.81 | 2.11 | -20.25 | 1 | 8 | 0 | 105 | 393.541 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.62 | 0.99 | -47.08 | 0 | 8 | -1 | 111 | 392.533 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.