UCSF

ZINC67975091

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 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) 2.91 9.7 -14.16 0 6 0 64 348.406 3
Mid Mid (pH 6-8) 2.91 10.14 -42.62 1 6 1 66 349.414 3

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

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