In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 26 | 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) | 2.40 | 1.14 | -14.99 | 2 | 8 | 0 | 104 | 394.478 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.40 | 3.57 | -57.73 | 3 | 8 | 1 | 105 | 395.486 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 0.66 | -45.37 | 1 | 8 | -1 | 103 | 393.47 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 3.12 | -58.86 | 2 | 8 | 0 | 104 | 394.478 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.