UCSF

ZINC37096865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.74 4.96 -28.83 3 3 1 43 220.34 6
Hi High (pH 8-9.5) 0.74 3.17 -3.22 2 3 0 42 219.332 6
Mid Mid (pH 6-8) 0.74 2.99 -49.36 3 3 1 44 220.34 6
Mid Mid (pH 6-8) 0.74 5.34 -114.91 4 3 2 45 221.348 6

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

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