UCSF

ZINC61701138

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 14 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) 2.64 5.87 -3.41 2 2 0 29 190.29 3
Mid Mid (pH 6-8) 2.64 6.37 -14.83 3 2 0 30 191.298 3

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

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