UCSF

ZINC67473508

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 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) 0.90 6.71 -37.16 3 7 1 87 343.407 6
Mid Mid (pH 6-8) 0.90 6.26 -21.25 2 7 0 85 342.399 6

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

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