In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 27 | No |
None
None
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) | 1.16 | 6.1 | -45.62 | 1 | 8 | 1 | 98 | 394.473 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.12 | -22.52 | 0 | 8 | 0 | 96 | 393.465 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.