UCSF

ZINC41529256

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 2.96 2.12 -14.96 1 5 0 66 315.445 2
Mid Mid (pH 6-8) 2.03 1.61 -48.96 0 5 -1 64 314.437 3
Mid Mid (pH 6-8) 2.03 4.07 -61.95 1 5 0 66 315.445 3
Mid Mid (pH 6-8) 2.96 4.55 -56.54 2 5 1 67 316.453 2

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

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