UCSF

ZINC41977707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 19 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) 2.87 8.81 -41.38 2 3 1 34 263.405 7
Hi High (pH 8-9.5) 2.87 5.86 -7.13 1 3 0 32 262.397 7

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Rings

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