UCSF

ZINC39301608

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 Yes

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) 5.10 15.22 -103.24 3 5 2 47 440.389 5
Mid Mid (pH 6-8) 5.10 14.85 -44.33 2 5 1 45 439.381 5
Mid Mid (pH 6-8) 5.10 12.31 -33.03 2 5 1 46 439.381 5
Mid Mid (pH 6-8) 5.10 13.02 -33.3 2 5 1 46 439.381 5
Mid Mid (pH 6-8) 5.10 12.64 -7.58 1 5 0 44 438.373 5
Lo Low (pH 4.5-6) 5.10 14.53 -92.85 3 5 2 47 440.389 5

Activity (Go SEA)

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