UCSF

ZINC37825263

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.85 7.2 -129.45 4 5 2 66 297.443 8
Hi High (pH 8-9.5) 1.85 7.23 -49.92 3 5 1 64 296.435 8

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Rings

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