UCSF

ZINC53649838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 Yes

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) 1.47 7.55 -81.79 3 4 2 39 266.433 6
Hi High (pH 8-9.5) 1.47 7.08 -40.57 2 4 1 38 265.425 6
Mid Mid (pH 6-8) 1.47 8.87 -126.11 3 4 2 39 266.433 6
Lo Low (pH 4.5-6) 1.47 9.34 -193.46 4 4 3 40 267.441 6

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

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