UCSF

ZINC05061270

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 29 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) 3.94 12.38 -55.91 0 4 -1 60 386.402 5
Mid Mid (pH 6-8) 4.39 0.55 -27.8 1 4 0 57 387.41 4
Mid Mid (pH 6-8) 3.36 0.79 -21.19 0 4 0 54 387.41 5

Activity (Go SEA)

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