UCSF

ZINC04501362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 6 No

Other Names:

MFCD00134386

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) 1.56 2.18 -2.78 0 0 0 0 116.107 1
Hi High (pH 8-9.5) 1.56 1.23 -36.04 0 0 -1 0 115.099 1

Activity (Go SEA)

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

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