UCSF

ZINC52955779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 34 No

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) 3.01 9.37 -19.66 1 7 0 79 507.414 9
Mid Mid (pH 6-8) 3.01 11.43 -62.69 2 7 1 81 508.422 9

Activity (Go SEA)

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

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