UCSF

ZINC54646959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.56 9.63 -69.21 1 10 -1 141 526.639 8
Mid Mid (pH 6-8) 2.56 9.94 -25.82 2 10 0 138 527.647 8

Activity (Go SEA)

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

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