UCSF

ZINC39113731

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 Yes

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Annotations

Vendors

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) -0.48 -1.93 -43.86 4 5 1 77 172.208 2
Mid Mid (pH 6-8) -0.29 -4.44 -45.92 3 5 0 83 171.2 2

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