UCSF

ZINC53498534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 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) 0.85 5.3 -89.09 3 4 2 34 257.422 8
Hi High (pH 8-9.5) 0.85 1.3 -2.72 1 4 0 28 255.406 8
Hi High (pH 8-9.5) 0.85 3.04 -35.25 2 4 1 32 256.414 8
Hi High (pH 8-9.5) 0.85 3.55 -30.48 2 4 1 29 256.414 8

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

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