UCSF

ZINC85343561

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2013 13 No

Other Names:

MFCD00008031

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) -3.94 -2.21 -114.36 2 7 -2 128 188.139 6
Mid Mid (pH 6-8) -3.94 -0.52 -56.01 3 7 -1 129 189.147 6

Activity (Go SEA)

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

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