In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2008 | 29 | 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) | 1.28 | 11.12 | -20.43 | 1 | 7 | 0 | 82 | 387.443 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 11.58 | -49.15 | 2 | 7 | 1 | 83 | 388.451 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 11.11 | -24.17 | 1 | 7 | 0 | 82 | 387.443 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 11.59 | -45.65 | 2 | 7 | 1 | 83 | 388.451 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 11.12 | -24.89 | 1 | 7 | 0 | 82 | 387.443 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.