In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 23 | 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) | 1.36 | -0.18 | -52.22 | 3 | 8 | -1 | 113 | 312.309 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.36 | -0.95 | -16.91 | 4 | 8 | 0 | 111 | 313.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.