UCSF

ZINC53391378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.25 7.16 -45.16 2 2 1 20 293.481 5
Hi High (pH 8-9.5) 3.25 5.82 -3.92 1 2 0 15 292.473 5
Mid Mid (pH 6-8) 3.25 7.87 -37.03 2 2 1 16 293.481 5
Lo Low (pH 4.5-6) 3.25 9.22 -126.69 3 2 2 21 294.489 5

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

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