In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 23 | No |
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) | 2.08 | 4.95 | -9.62 | 1 | 4 | 0 | 42 | 322.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 7.1 | -41.12 | 2 | 4 | 1 | 43 | 323.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.