In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 25 | 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) | 1.10 | 1.47 | -46.05 | 4 | 7 | 1 | 103 | 343.407 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.10 | -0.53 | -15.3 | 3 | 7 | 0 | 102 | 342.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.