UCSF

ZINC49547758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 1.33 2.74 -15.65 4 5 0 88 303.387 4
Mid Mid (pH 6-8) 2.25 2.28 -38.32 5 5 1 93 304.395 3

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

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