In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 30 | 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) | 4.12 | 7.25 | -15.88 | 2 | 7 | 0 | 101 | 480.662 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 7.3 | -54.93 | 1 | 7 | -1 | 103 | 479.654 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.