UCSF

ZINC53389463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 21 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) 1.74 6.85 -86.42 3 4 2 34 299.503 9
Lo Low (pH 4.5-6) 1.74 9.08 -199.72 4 4 3 35 300.511 9

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

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