UCSF

ZINC13681153

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.34 2.25 -14.7 2 6 0 88 305.359 4
Hi High (pH 8-9.5) 1.34 2.33 -41.62 1 6 -1 90 304.351 4
Lo Low (pH 4.5-6) 1.34 2.54 -46.77 3 6 1 89 306.367 4

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

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