UCSF

ZINC01714123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 20 No

CAS Number: 171179-06-9

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) 5.04 -1.95 -100.44 0 6 -2 114 328.245 5

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