UCSF

ZINC42633184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 18 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) 2.59 5.46 -11.01 1 5 0 67 257.322 3
Hi High (pH 8-9.5) 2.59 5.11 -48.34 0 5 -1 66 256.314 3

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

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