UCSF

ZINC41685043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.71 7.02 -41.28 1 4 1 42 429.198 7
Hi High (pH 8-9.5) 3.71 4.56 -6.39 0 4 0 41 428.19 7

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Rings

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