UCSF

ZINC52885170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 15 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) 0.53 4.33 -46.92 2 5 1 60 204.257 3
Mid Mid (pH 6-8) 0.53 2.88 -9.47 1 5 0 56 203.249 3

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

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