UCSF

ZINC65520000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

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) 0.47 4.26 -9.42 0 7 0 67 326.404 3
Mid Mid (pH 6-8) 0.47 4.67 -36.9 1 7 1 69 327.412 3
Mid Mid (pH 6-8) 0.47 6.52 -47.28 1 7 1 68 327.412 3
Mid Mid (pH 6-8) 0.47 6.96 -109.75 2 7 2 70 328.42 3

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

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