UCSF

ZINC52883183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 4.01 6.85 -6.97 3 3 0 55 288.435 5
Mid Mid (pH 6-8) 4.01 7.11 -52.59 4 3 1 57 289.443 5

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

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