UCSF

ZINC19452491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 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) 3.05 4.64 -17.64 2 8 0 106 400.46 6
Hi High (pH 8-9.5) 3.51 3.53 -46.06 1 8 -1 109 399.452 6
Mid Mid (pH 6-8) 3.12 3.38 -57.11 1 8 -1 113 399.452 6

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

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