UCSF

ZINC40440080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 22 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) -1.14 -1.16 -42.64 4 10 -1 159 328.245 5
Mid Mid (pH 6-8) -1.14 -0.05 -126.31 3 10 -2 162 327.237 5

Activity (Go SEA)

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