UCSF

ZINC53532561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.67 3.32 -51.49 2 4 1 54 340.288 5
Mid Mid (pH 6-8) 1.67 1.96 -12.82 1 4 0 49 339.28 5

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

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