In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 22 | 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) | 3.02 | 6.12 | -6.72 | 1 | 4 | 0 | 42 | 306.45 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.01 | -35.67 | 2 | 4 | 1 | 43 | 307.458 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.