UCSF

ZINC04497831

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 26 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) 2.70 3.79 -53.74 2 8 -1 119 370.414 5
Mid Mid (pH 6-8) 2.70 3.76 -123.7 1 8 -2 117 369.406 5
Mid Mid (pH 6-8) 2.88 4.05 -43.74 2 8 -1 118 370.414 4

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

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