UCSF

ZINC69951854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 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) 2.75 8.15 -48.5 2 5 1 46 348.511 8
Hi High (pH 8-9.5) 2.75 8.36 -45.26 2 5 1 46 348.511 8
Mid Mid (pH 6-8) 2.75 10.62 -123.4 3 5 2 47 349.519 8

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

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