UCSF

ZINC65591422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 21 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) 1.68 4.26 -32.23 3 5 1 64 291.419 7
Mid Mid (pH 6-8) 1.68 1.98 -9.48 2 5 0 62 290.411 7
Mid Mid (pH 6-8) 1.68 2.02 -31.53 3 5 1 64 291.419 7

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

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