UCSF

ZINC06207945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 31 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) 3.08 9.79 -16.66 2 9 0 103 420.473 7
Lo Low (pH 4.5-6) 3.26 10.16 -38.18 3 9 1 108 421.481 7

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