UCSF

ZINC59819127

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 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) 2.60 4.59 -51.09 4 8 1 118 390.46 10
Mid Mid (pH 6-8) 3.06 2.74 -73.6 3 8 0 121 389.452 10

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

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