UCSF

ZINC53345416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.08 3.46 -41.48 2 5 1 45 285.437 7
Hi High (pH 8-9.5) 1.08 2.24 -6.03 1 5 0 41 284.429 7
Lo Low (pH 4.5-6) 1.08 3.91 -77.48 3 5 2 46 286.445 7

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

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