UCSF

ZINC69189163

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 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) 1.12 6.26 -15.54 3 7 0 107 307.379 7
Mid Mid (pH 6-8) 1.12 5.82 -41.4 2 7 -1 105 306.371 7
Lo Low (pH 4.5-6) 1.12 6.54 -46.33 4 7 1 108 308.387 7

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

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