UCSF

ZINC40187439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 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) 2.78 9.23 -17.65 1 7 0 76 420.513 5
Lo Low (pH 4.5-6) 2.78 9.78 -38.6 2 7 1 78 421.521 5

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