UCSF

ZINC51170185

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 20 No

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) 3.38 5.16 -24.62 4 4 1 61 280.298 3
Hi High (pH 8-9.5) 3.38 4.74 -10.26 3 4 0 60 279.29 3

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

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