UCSF

ZINC19994468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 No

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) 0.14 2.88 -12.24 2 8 0 96 358.398 5
Ref Reference (pH 7) 0.14 2.88 -12.34 2 8 0 96 358.398 5
Mid Mid (pH 6-8) 0.14 5.15 -54.58 3 8 1 98 359.406 5
Mid Mid (pH 6-8) 0.14 5.15 -54.04 3 8 1 98 359.406 5

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

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