UCSF

ZINC45328817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 10 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) 2.00 3.74 -32.82 2 2 1 30 198.043 0
Mid Mid (pH 6-8) 2.00 3.27 -4.22 1 2 0 29 197.035 0

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

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