UCSF

ZINC40661398

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 23 No

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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) 2.69 11.52 -10.35 1 8 0 101 312.333 5
Lo Low (pH 4.5-6) 2.69 12 -25.12 2 8 1 103 313.341 5

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

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