UCSF

ZINC69975182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 12 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) -0.18 0.85 -41.75 0 5 -1 62 165.176 1
Mid Mid (pH 6-8) -0.18 0.84 -7.67 1 5 0 64 166.184 1

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

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