UCSF

ZINC14532276

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 31 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) 3.02 8.74 -13.22 2 8 0 98 422.416 7
Lo Low (pH 4.5-6) 3.02 8.99 -40.11 3 8 1 100 423.424 7

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

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