UCSF

ZINC71572103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.81 6.23 -15.76 1 4 0 41 253.305 2
Hi High (pH 8-9.5) 2.81 6.95 -57.41 0 4 -1 44 252.297 2
Mid Mid (pH 6-8) 2.81 6.67 -27.82 2 4 1 42 254.313 2

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

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