UCSF

ZINC62821483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 14 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 5.18 -32.4 3 3 1 45 194.302 4
Hi High (pH 8-9.5) 1.36 3.94 -5.54 2 3 0 41 193.294 4
Lo Low (pH 4.5-6) 1.36 5.57 -95.08 4 3 2 47 195.31 4

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

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