UCSF

ZINC40185463

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 3.34 9.79 -10.99 1 4 0 47 317.392 4
Lo Low (pH 4.5-6) 3.34 10.35 -32.78 2 4 1 48 318.4 4

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