UCSF

ZINC60190482

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2011 26 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) 1.13 0.68 -38.03 7 7 1 134 363.482 11
Hi High (pH 8-9.5) 1.13 0.36 -11.4 6 7 0 133 362.474 11
Mid Mid (pH 6-8) 1.13 0.97 -101.56 8 7 2 136 364.49 11

Activity (Go SEA)

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