UCSF

ZINC19432149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 0.78 5.48 -87.49 5 3 2 56 207.321 4
Hi High (pH 8-9.5) 0.78 5.52 -36.79 4 3 1 54 206.313 4

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Rings

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