UCSF

ZINC67513535

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 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) 1.27 9.55 -113.23 2 6 2 42 368.566 5
Hi High (pH 8-9.5) 1.27 7.22 -50.33 1 6 1 40 367.558 5

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

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