UCSF

ZINC37232275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.43 5.09 -36.62 2 5 1 55 293.387 8
Hi High (pH 8-9.5) 1.43 3.73 -6.38 1 5 0 51 292.379 8
Lo Low (pH 4.5-6) 1.43 7.36 -100.67 3 5 2 57 294.395 8

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

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