UCSF

ZINC49574148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 28 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) 4.42 11.21 -33.45 2 5 1 53 375.496 5
Hi High (pH 8-9.5) 4.42 9.25 -15.02 1 5 0 52 374.488 5
Lo Low (pH 4.5-6) 4.42 12.24 -83.93 3 5 2 55 376.504 5

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

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