UCSF

ZINC04773981

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 18 Yes

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) 1.96 3.22 -7.32 1 4 0 52 243.262 2
Lo Low (pH 4.5-6) 1.96 3.45 -32.66 2 4 1 53 244.27 2

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

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