UCSF

ZINC41538455

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 3.15 7.59 -59.52 0 5 -1 74 324.356 4
Mid Mid (pH 6-8) 3.15 6.86 -12.31 1 5 0 71 325.364 4

Activity (Go SEA)

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