UCSF

ZINC06148729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 36 No

Other Names:

MFCD02224302

Download: MOL2 SDF SMILES Flexibase

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) 4.59 0.57 -13.45 0 7 0 83 512.002 9
Mid Mid (pH 6-8) 4.77 0.6 -14.29 0 7 0 83 512.002 9
Mid Mid (pH 6-8) 4.59 0.46 -16.68 0 7 0 83 512.002 9
Mid Mid (pH 6-8) 4.77 1.93 -15.39 0 7 0 83 512.002 9

Activity (Go SEA)

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