UCSF

ZINC41536469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.80 7.4 -40.53 2 3 1 34 269.796 5
Hi High (pH 8-9.5) 2.80 4.93 -6.16 1 3 0 32 268.788 5

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Rings

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