UCSF

ZINC52852563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.06 6.43 -49.78 3 4 1 48 245.35 1
Hi High (pH 8-9.5) 1.06 4.03 -8.81 2 4 0 47 244.342 1
Mid Mid (pH 6-8) 1.06 6.87 -85.41 4 4 2 50 246.358 1

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

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