UCSF

ZINC95743642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 21 Yes

CAS Number: 139264-17-8

Other Names:

MFCD00871503

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) 1.80 5.1 -103.87 3 5 2 57 289.379 5
Hi High (pH 8-9.5) 1.80 2.61 -40.55 2 5 1 56 288.371 5

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

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