In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 27 | 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) | 3.25 | 6.67 | -51.4 | 4 | 8 | -1 | 125 | 383.819 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 8.75 | -12.11 | 5 | 8 | 0 | 121 | 384.827 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 7.55 | -49.19 | 4 | 8 | -1 | 121 | 383.819 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.