UCSF

ZINC62038761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 33 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) 3.13 4.24 -22.13 3 10 0 148 491.547 10
Hi High (pH 8-9.5) 3.59 3.78 -88.67 1 10 -2 154 489.531 10
Mid Mid (pH 6-8) 3.59 3.01 -44.67 2 10 -1 151 490.539 10

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

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