UCSF

ZINC01611274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 31 Yes

CAS Number: 123948-87-8

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.03 -3.01 -55.97 3 8 1 106 422.461 3
Lo Low (pH 4.5-6) 2.31 -2.97 -113.9 4 8 2 107 423.469 3

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