UCSF

ZINC72367966

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2012 23 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) 2.61 6.41 -9.24 2 5 0 57 305.385 4
Mid Mid (pH 6-8) 2.61 6.26 -8.28 2 5 0 57 305.385 4
Mid Mid (pH 6-8) 2.61 8.63 -48.75 3 5 1 58 306.393 4
Mid Mid (pH 6-8) 2.61 8.46 -45.77 3 5 1 58 306.393 4

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

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