UCSF

ZINC37313966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 0.44 7.47 -51.52 2 5 1 55 277.392 3
Hi High (pH 8-9.5) 0.44 6.39 -13.41 1 5 0 50 276.384 3
Mid Mid (pH 6-8) 0.44 8.57 -114.54 3 5 2 56 278.4 3

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

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