UCSF

ZINC71405417

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 16 Yes

CAS Number: N/A

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) 1.07 1.65 -6.83 2 4 0 59 227.235 6
Mid Mid (pH 6-8) 1.07 2.78 -38.56 3 4 1 63 228.243 6

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

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