UCSF

ZINC48787204

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 19 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 5.68 -51.91 3 4 1 59 294.425 3
Hi High (pH 8-9.5) 2.77 4.15 -62.32 2 4 0 65 293.417 3
Mid Mid (pH 6-8) 2.70 3.99 -8.26 2 4 0 54 293.417 3

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

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