UCSF

ZINC41620597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 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) 0.81 4.3 -60.25 2 7 1 86 326.398 4
Hi High (pH 8-9.5) 0.81 1.95 -20.01 1 7 0 85 325.39 4

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

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