UCSF

ZINC40190414

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 3.91 10.83 -9.61 1 4 0 47 333.435 5
Lo Low (pH 4.5-6) 3.91 10.64 -30.33 2 4 1 48 334.443 5

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