UCSF

ZINC65958420

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.04 5.69 -9.91 1 3 0 32 260.312 6
Mid Mid (pH 6-8) 2.04 7.77 -43.86 2 3 1 34 261.32 6

Activity (Go SEA)

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

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