UCSF

ZINC62835137

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 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) 0.18 4.93 -50.69 3 7 -1 102 291.331 7
Lo Low (pH 4.5-6) 0.18 4.42 -49.35 4 7 0 103 292.339 7
Lo Low (pH 4.5-6) 0.18 4.85 -57.02 4 7 0 103 292.339 7

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

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