UCSF

ZINC54931431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 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) 1.18 2.11 -36.51 2 2 1 20 155.265 3
Hi High (pH 8-9.5) 1.18 0.43 -0.97 1 2 0 15 154.257 3
Mid Mid (pH 6-8) 1.18 4.37 -107.26 3 2 2 21 156.273 3
Mid Mid (pH 6-8) 1.18 2.69 -30.81 2 2 1 16 155.265 3

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

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