UCSF

ZINC15937429

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 25 No

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) 2.79 7.54 -7.29 1 6 0 63 349.406 7
Mid Mid (pH 6-8) 2.79 9.53 -32.52 2 6 1 65 350.414 8
Lo Low (pH 4.5-6) 2.79 8.54 -35.84 2 6 1 65 350.414 7

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

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