UCSF

ZINC61483795

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 16 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) 1.97 5.28 -38.86 2 4 1 42 241.384 6
Hi High (pH 8-9.5) 1.97 2.93 -6.96 1 4 0 41 240.376 6

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

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