UCSF

ZINC13521788

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 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) 1.50 2.27 -40.74 1 5 -1 74 187.182 2
Mid Mid (pH 6-8) 1.04 4.25 -13.65 2 5 0 71 188.19 2

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

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