UCSF

ZINC02569311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

CAS Numbers: 36441-93-7 , 37110-85-3 , 50-69-1

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) -1.48 -9.63 -8.9 4 5 0 90 150.13 1

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