UCSF

ZINC41538425

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.42 6.3 -55.5 0 5 -1 74 361.171 3
Lo Low (pH 4.5-6) 2.42 5.55 -11.52 1 5 0 71 362.179 3

Activity (Go SEA)

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