In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 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) | 3.23 | 7.54 | -30.09 | 2 | 6 | 1 | 53 | 345.467 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.23 | 7.42 | -8.14 | 1 | 6 | 0 | 52 | 344.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 8.55 | -47.12 | 2 | 6 | 1 | 56 | 345.467 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.23 | 8.69 | -104.58 | 3 | 6 | 2 | 57 | 346.475 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.