In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 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) | 1.45 | 4.97 | -43.52 | 1 | 7 | 0 | 84 | 315.377 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 7.52 | -52.58 | 2 | 7 | 1 | 81 | 316.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 5.65 | -14.08 | 1 | 7 | 0 | 80 | 315.377 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.