UCSF

ZINC39230999

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 4.64 12.79 -38.07 1 6 1 51 453.566 6
Mid Mid (pH 6-8) 4.64 12.1 -15.1 0 6 0 50 452.558 6
Mid Mid (pH 6-8) 4.64 14.32 -60.2 1 6 1 51 453.566 6
Lo Low (pH 4.5-6) 4.64 15.01 -109.36 2 6 2 53 454.574 6

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