UCSF

ZINC13605594

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 3.01 8.03 -61.19 1 4 -1 65 283.332 2
Lo Low (pH 4.5-6) 1.98 7.37 -40.4 2 4 1 60 285.348 2
Lo Low (pH 4.5-6) 3.01 7.23 -16.7 2 4 0 62 284.34 2

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

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