UCSF

ZINC54668858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 2.63 8.22 -42.81 3 1 1 28 323.279 2
Mid Mid (pH 6-8) 2.63 7.91 -2.69 2 1 0 26 322.271 2

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

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