UCSF

ZINC60023406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.81 2.72 -56.81 2 7 -1 113 354.433 4
Mid Mid (pH 6-8) 1.01 2.37 -55.32 3 7 -1 116 354.433 4

Activity (Go SEA)

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

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