UCSF

ZINC69232354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -2.26 6.98 -48.61 3 6 0 79 265.337 5
Hi High (pH 8-9.5) -2.26 6.78 -41.02 2 6 0 74 264.329 5
Hi High (pH 8-9.5) -2.26 7.33 -47.45 2 6 0 78 264.329 5
Mid Mid (pH 6-8) -2.26 7.8 -54.14 3 6 1 79 265.337 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.