UCSF

ZINC54905591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 1.30 6.59 -83.53 3 5 2 46 300.472 7
Hi High (pH 8-9.5) 1.30 2.8 -7.16 1 5 0 41 298.456 7
Mid Mid (pH 6-8) 1.30 5.17 -38.69 2 5 1 42 299.464 7

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

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