In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 29 | 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) | 1.04 | 7.04 | -41.08 | 2 | 8 | 1 | 85 | 397.503 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 6.58 | -16.07 | 1 | 8 | 0 | 83 | 396.495 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.