UCSF

ZINC39266380

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 37 No

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Annotations

Vendors

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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) 4.43 14.45 -57.11 3 7 1 80 494.619 8
Hi High (pH 8-9.5) 4.43 12.63 -25.84 2 7 0 79 493.611 8
Hi High (pH 8-9.5) 4.62 12.26 -46.48 2 7 0 87 493.611 8

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