UCSF

ZINC63743534

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.31 8.58 -115.81 3 5 2 74 441.984 6
Mid Mid (pH 6-8) 6.31 9 -167 2 5 1 76 440.976 6

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

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