In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2008 | 23 | 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) | 4.48 | 11.1 | -134.28 | 4 | 2 | 2 | 33 | 302.421 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 9.8 | -37.68 | 3 | 2 | 1 | 29 | 301.413 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.