UCSF

ZINC50655895

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 1.02 2.69 -40.87 3 8 0 108 306.351 5
Mid Mid (pH 6-8) 1.02 2.25 -50.44 2 8 -1 106 305.343 5
Mid Mid (pH 6-8) 1.02 2.22 -15.56 3 8 0 104 306.351 5
Mid Mid (pH 6-8) 1.02 2.35 -31.14 4 8 1 109 307.359 5

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

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