UCSF

ZINC49236678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 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) 2.55 6.16 -42.49 2 4 1 43 271.768 6
Hi High (pH 8-9.5) 2.55 3.82 -10.13 1 4 0 42 270.76 6

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Rings

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