UCSF

ZINC62038958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 27 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) 3.29 4.03 -22.5 3 9 0 141 406.445 5
Hi High (pH 8-9.5) 3.75 3.48 -90.42 1 9 -2 147 404.429 5
Mid Mid (pH 6-8) 3.29 4.8 -43.48 2 9 -1 144 405.437 5

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

No pre-computed analogs available. Try a structural similarity search.