UCSF

ZINC49480600

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.99 3.17 -46.05 1 4 0 53 237.328 4
Mid Mid (pH 6-8) 1.53 5.88 -49.14 2 4 1 50 238.336 4

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