UCSF

ZINC01081061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 21 No

CAS Number: 17617-45-7

Other Names:

LS-187685

MFCD00078765

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) -1.21 -1.22 -15.29 1 6 0 85 292.287 1

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