UCSF

ZINC53399143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 22 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) 2.04 9.11 -42.51 1 5 1 49 306.382 6
Hi High (pH 8-9.5) 2.04 7.28 -8.68 0 5 0 48 305.374 6

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

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