In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 26 | 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) | 0.98 | 4.79 | -50.17 | 4 | 6 | 1 | 86 | 362.494 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.98 | 4.34 | -14.79 | 3 | 6 | 0 | 82 | 361.486 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.