UCSF

ZINC36874005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.81 8.12 -38.79 4 3 1 56 343.248 4
Hi High (pH 8-9.5) 1.81 7.72 -6.5 3 3 0 55 342.24 4
Mid Mid (pH 6-8) 1.81 8.37 -129.42 5 3 2 58 344.256 4
Mid Mid (pH 6-8) 1.81 8.02 -52.43 4 3 1 56 343.248 4

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

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