UCSF

ZINC44994963

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 17 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) 1.71 5.56 -41.68 2 4 1 42 238.355 4
Hi High (pH 8-9.5) 1.71 4.69 -42.14 2 4 1 46 238.355 4
Mid Mid (pH 6-8) 1.71 6.6 -109.42 3 4 2 47 239.363 4

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

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