UCSF

ZINC59514405

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.94 10.19 -10.5 1 4 0 45 384.526 5
Mid Mid (pH 6-8) 3.94 10.29 -55.98 2 4 0 47 385.534 5

Activity (Go SEA)

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

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