UCSF

ZINC45795877

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 18 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) 1.36 6.76 -46.91 0 5 -1 79 247.274 4
Lo Low (pH 4.5-6) 1.36 4.76 -11.57 1 5 0 76 248.282 4

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

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