UCSF

ZINC40338436

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 19 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) -0.44 -2.04 -13.59 4 7 0 110 304.397 2
Hi High (pH 8-9.5) -0.44 -1.55 -41.29 3 7 -1 107 303.389 2
Lo Low (pH 4.5-6) -0.44 -2.24 -53.69 5 7 1 111 305.405 2

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

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