UCSF

ZINC34870792

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 27 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) 2.66 9.22 -13.73 1 5 0 41 404.967 8
Mid Mid (pH 6-8) 2.66 11.49 -48.7 2 5 1 42 405.975 8
Lo Low (pH 4.5-6) 2.66 11.96 -112.86 3 5 2 43 406.983 8

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