UCSF

ZINC06136865

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 35 No

Other Names:

MFCD02224172

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) 5.54 12.35 -14.13 0 6 0 74 479.548 7
Mid Mid (pH 6-8) 5.72 12.13 -14.41 0 6 0 74 479.548 7
Mid Mid (pH 6-8) 5.72 13.06 -14.27 0 6 0 74 479.548 7
Mid Mid (pH 6-8) 5.54 12.39 -16.13 0 6 0 74 479.548 7

Activity (Go SEA)

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