UCSF

ZINC13427556

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 No

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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) 4.20 10.03 -61.72 0 7 -1 88 466.554 11
Mid Mid (pH 6-8) 4.64 8.33 -24.54 1 7 0 85 467.562 10
Mid Mid (pH 6-8) 3.61 10.01 -18.79 0 7 0 82 467.562 11

Activity (Go SEA)

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