UCSF

ZINC64538558

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 30 Yes

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) 2.45 2.49 -44.74 3 8 1 94 413.498 7
Lo Low (pH 4.5-6) 2.45 4.37 -98.94 4 8 2 98 414.506 7

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

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