UCSF

ZINC41537916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 Yes

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Annotations

None

Vendors

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) 2.26 6.82 -45.86 1 4 -1 69 268.72 5
Lo Low (pH 4.5-6) 2.26 4.84 -7.72 2 4 0 66 269.728 5

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Rings

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