In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 27 | 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) | 3.16 | 10.29 | -24.01 | 1 | 6 | 0 | 64 | 375.457 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 10.73 | -43.68 | 2 | 6 | 1 | 65 | 376.465 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.