UCSF

ZINC31975519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.19 7.39 -61.28 3 6 1 91 283.311 3
Hi High (pH 8-9.5) 2.19 7.06 -11.41 2 6 0 89 282.303 3

Activity (Go SEA)

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