UCSF

ZINC54420362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 17 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) -0.03 2.34 -40.56 4 7 1 98 238.271 2
Hi High (pH 8-9.5) -0.03 -0.19 -4.74 3 7 0 97 237.263 2

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

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