UCSF

ZINC20287644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 25 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) 1.25 6.35 -39.33 2 6 1 57 367.539 7
Mid Mid (pH 6-8) 1.25 3.87 -6.61 1 6 0 56 366.531 7
Mid Mid (pH 6-8) 1.25 5.84 -41.04 2 6 1 57 367.539 7

Activity (Go SEA)

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