UCSF

ZINC13214358

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.00 6.78 -15.68 1 4 0 51 310.397 3
Lo Low (pH 4.5-6) 3.00 7.06 -34.63 2 4 1 52 311.405 3

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

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