UCSF

ZINC21981256

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 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) 2.64 3.49 -34.69 2 4 1 41 282.367 0
Hi High (pH 8-9.5) 2.64 3.28 -9.67 1 4 0 40 281.359 0
Mid Mid (pH 6-8) 2.64 5.97 -103.84 3 4 2 42 283.375 0
Mid Mid (pH 6-8) 2.64 6.73 -77.57 2 4 1 45 282.367 0
Mid Mid (pH 6-8) 2.64 5.75 -43.28 2 4 1 41 282.367 0
Mid Mid (pH 6-8) 2.64 4.24 -21.42 1 4 0 44 281.359 0

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

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