UCSF

ZINC40450015

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

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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) 1.16 6.08 -38.37 2 4 1 52 272.353 3
Mid Mid (pH 6-8) 1.16 5.62 -12.97 1 4 0 51 271.345 3

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

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