UCSF

ZINC13677718

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 No

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) 0.85 5.63 -17.34 3 9 0 117 360.314 5
Lo Low (pH 4.5-6) 0.85 5.88 -38.12 4 9 1 118 361.322 5
Lo Low (pH 4.5-6) 0.85 1.48 -35.07 4 9 1 118 361.322 5

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

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