UCSF

ZINC53382563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 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) 0.98 2.43 -44.58 2 4 1 38 243.371 6
Hi High (pH 8-9.5) 0.98 1.11 -3.84 1 4 0 34 242.363 6
Lo Low (pH 4.5-6) 0.98 4.69 -123.48 3 4 2 40 244.379 6

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

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