UCSF

ZINC04951049

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 13 No

Other Names:

MFCD00602872

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) 1.85 3.4 -9.74 1 3 0 42 175.187 1
Mid Mid (pH 6-8) 1.85 4.2 -50.29 0 3 -1 45 174.179 1

Activity (Go SEA)

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