In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 33 | No |
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) | 2.95 | 7.35 | -27.21 | 2 | 7 | 0 | 108 | 452.551 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 7.22 | -24.18 | 2 | 7 | 0 | 108 | 452.551 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 7.93 | -31.3 | 2 | 7 | 0 | 108 | 452.551 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 7.23 | -26.89 | 2 | 7 | 0 | 108 | 452.551 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.