UCSF

ZINC49546381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 4.47 10.35 -45.79 3 7 1 89 423.896 6
Ref Reference (pH 7) 4.47 10.32 -14.85 2 7 0 87 422.888 6
Mid Mid (pH 6-8) 4.47 10.14 -12.16 2 7 0 87 422.888 6
Mid Mid (pH 6-8) 4.47 10.35 -45.93 3 7 1 89 423.896 6

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

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