UCSF

ZINC08035460

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 32 No

CAS Numbers: 107648-80-6 , 123171-59-5 , 88040-23-7

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) -4.40 8.25 -55.87 3 11 0 150 480.572 7

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