UCSF

ZINC40177903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.09 3.57 -15.85 1 8 0 104 467.478 6
Lo Low (pH 4.5-6) 3.09 4.04 -54.01 2 8 1 105 468.486 6

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