UCSF

ZINC58309963

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 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) 3.41 9.2 -57.6 3 5 1 56 349.458 7
Hi High (pH 8-9.5) 3.41 8.02 -9.21 2 5 0 51 348.45 7
Mid Mid (pH 6-8) 3.41 9.36 -102.64 4 5 2 57 350.466 7

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

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