UCSF

ZINC69236626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.86 8.75 -40.43 3 3 1 45 288.459 5
Hi High (pH 8-9.5) 3.86 7.4 -3.7 2 3 0 41 287.451 5
Hi High (pH 8-9.5) 3.86 8.26 -29.48 3 3 1 42 288.459 5

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

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