UCSF

ZINC71556401

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.12 9.17 -49.31 1 6 0 75 437.974 8
Hi High (pH 8-9.5) 4.12 6.71 -51.77 0 6 -1 74 436.966 8
Mid Mid (pH 6-8) 5.05 9.03 -46.64 2 6 1 76 438.982 7

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

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