UCSF

ZINC55071035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 1.82 6 -37.84 2 5 1 46 298.451 9
Hi High (pH 8-9.5) 1.82 4.11 -3.65 1 5 0 45 297.443 9
Mid Mid (pH 6-8) 1.82 7.39 -89.1 3 5 2 51 299.459 9

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

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