UCSF

ZINC54744578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 21 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) 1.16 4.59 -43.87 2 7 1 79 290.347 4
Hi High (pH 8-9.5) 1.16 3.93 -9.14 1 7 0 74 289.339 4

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

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