In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 22 | 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) | 2.19 | 4.92 | -7.13 | 1 | 5 | 0 | 53 | 319.327 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 7.26 | -36.4 | 2 | 5 | 1 | 54 | 320.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.