UCSF

ZINC77265826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2012 27 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) 5.05 10.28 -5.68 0 3 0 22 359.469 5
Mid Mid (pH 6-8) 5.05 12.26 -43.9 1 3 1 23 360.477 5

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

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