UCSF

ZINC55053604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 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) 1.32 4.89 -41.55 1 7 1 69 306.39 6
Mid Mid (pH 6-8) 1.32 2.58 -9.41 0 7 0 68 305.382 6

Activity (Go SEA)

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

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