UCSF

ZINC11783732

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.51 -1.74 -19.15 1 8 0 89 447.539 6
Lo Low (pH 4.5-6) 1.51 -1.67 -57.95 2 8 1 91 448.547 6

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

No pre-computed analogs available. Try a structural similarity search.