UCSF

ZINC40165871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 34 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) 6.26 12.08 -18.79 1 6 0 81 483.622 7
Hi High (pH 8-9.5) 6.33 10.49 -51.65 0 6 -1 87 482.614 7

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