UCSF

ZINC71556396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 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) 4.38 10.11 -50.1 1 6 0 75 431.583 9
Hi High (pH 8-9.5) 4.38 7.58 -54.68 0 6 -1 74 430.575 9
Mid Mid (pH 6-8) 5.31 9.97 -45.43 2 6 1 76 432.591 8

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

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