UCSF

ZINC35628949

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 3.96 5.72 -35.8 3 3 1 40 291.459 6
Mid Mid (pH 6-8) 3.96 8.22 -32.58 3 3 1 37 291.459 6
Lo Low (pH 4.5-6) 3.96 8.37 -115.23 4 3 2 41 292.467 6

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

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