UCSF

ZINC39265251

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 4.71 15.26 -102.61 3 5 2 47 375.52 5
Mid Mid (pH 6-8) 4.71 14.93 -43.83 2 5 1 45 374.512 5
Mid Mid (pH 6-8) 4.71 12.35 -30.72 2 5 1 46 374.512 5
Mid Mid (pH 6-8) 4.71 13.05 -32.34 2 5 1 46 374.512 5
Mid Mid (pH 6-8) 4.71 12.69 -7.14 1 5 0 44 373.504 5
Lo Low (pH 4.5-6) 4.71 14.58 -90.46 3 5 2 47 375.52 5

Activity (Go SEA)

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