In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 32 | 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) | 2.14 | 11.49 | -49.68 | 2 | 7 | 1 | 78 | 433.532 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 9.2 | -21.55 | 1 | 7 | 0 | 76 | 432.524 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.