UCSF

ZINC19995864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 No

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) 1.40 2.98 -53.69 1 8 -1 100 343.363 4
Lo Low (pH 4.5-6) 0.95 4.76 -11.89 2 8 0 96 344.371 4
Lo Low (pH 4.5-6) 1.40 4.29 -61.3 2 8 0 101 344.371 4

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

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