UCSF

ZINC08859829

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 No

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Annotations

None

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) 2.22 8.63 -58.35 2 8 1 93 466.558 10
Mid Mid (pH 6-8) 1.64 9.31 -67.8 1 8 1 90 466.558 10
Lo Low (pH 4.5-6) 2.67 8.6 -119.77 3 8 2 95 467.566 9
Lo Low (pH 4.5-6) 1.64 9.6 -122 2 8 2 91 467.566 10

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