UCSF

ZINC20031309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 Yes

Other Names:

MFCD02325516

Download: MOL2 SDF SMILES Flexibase

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) 2.82 5.08 -33.72 1 3 1 21 262.764 1
Hi High (pH 8-9.5) 2.82 4.68 -4.09 0 3 0 19 261.756 1
Mid Mid (pH 6-8) 2.82 7.15 -45.26 1 3 1 21 262.764 1

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