UCSF

ZINC39953652

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 12 No

Other Names:

MFCD00133009

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) -0.97 -1.89 -36.03 3 6 1 86 166.164 1
Mid Mid (pH 6-8) -0.97 -1.87 -18.79 2 6 0 84 165.156 1
Mid Mid (pH 6-8) -0.97 -2.85 -7.71 2 6 0 85 165.156 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.