UCSF

ZINC38581417

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 0.92 2.46 -47.99 1 8 -1 94 313.341 7
Hi High (pH 8-9.5) 0.92 2.28 -35.56 1 8 -1 94 313.341 5
Mid Mid (pH 6-8) 0.92 1.48 -109.61 0 8 -2 96 312.333 7

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

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