UCSF

ZINC31320253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 19 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) 3.11 4.84 -5.01 1 5 0 66 266.341 3
Hi High (pH 8-9.5) 2.42 3.07 -37.14 0 5 -1 73 265.333 3

Activity (Go SEA)

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