UCSF

ZINC14008723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 35 No

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) 5.32 10.2 -15.23 2 8 0 102 489.553 8
Mid Mid (pH 6-8) 4.83 9.71 -45.83 1 8 -1 101 488.545 9
Lo Low (pH 4.5-6) 4.83 10.15 -19.87 2 8 0 99 489.553 9

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

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