UCSF

ZINC04262018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 No

CAS Numbers: 3458-28-4 , 66-84-2

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) -2.64 -9.34 -8.54 5 6 0 110 180.156 1

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