UCSF

ZINC49450818

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 20 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) 1.65 -0.18 -11.24 3 7 0 97 277.28 4
Hi High (pH 8-9.5) 1.83 -2.83 -43.45 2 7 -1 103 276.272 4

Activity (Go SEA)

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