UCSF

ZINC43511631

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 44 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 4.83 -349.01 29 20 5 399 615.732 16
Hi High (pH 8-9.5) -2.79 3.82 -342.35 29 20 5 401 615.732 15
Mid Mid (pH 6-8) -2.66 4.21 -468.75 30 20 6 400 616.74 16

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