UCSF

ZINC09273491

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 32 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) 6.09 0.86 -17.92 0 5 0 55 445.588 8
Lo Low (pH 4.5-6) 6.09 0.97 -53.34 1 5 1 56 446.596 8

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