UCSF

ZINC62038975

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) 2.93 4.03 -25.66 3 12 0 176 494.507 10
Hi High (pH 8-9.5) 3.39 3.59 -85.46 1 12 -2 182 492.491 10
Mid Mid (pH 6-8) 3.39 2.82 -49.19 2 12 -1 180 493.499 10

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

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