UCSF

ZINC39549596

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 21 No

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Annotations

Vendors

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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) 2.14 5.48 -9.75 1 6 0 87 281.271 2
Lo Low (pH 4.5-6) 2.14 6.36 -40.19 2 6 1 89 282.279 2

Activity (Go SEA)

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