UCSF

ZINC53338476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 13 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) -0.19 2.12 -28.04 2 4 1 49 183.231 3
Mid Mid (pH 6-8) -0.19 1.4 -10.89 1 4 0 47 182.223 3

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

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