UCSF

ZINC64550049

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 29 No

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) -3.45 -8.2 -77.59 6 13 -1 210 415.379 10
Lo Low (pH 4.5-6) -3.45 -10.32 -35.47 7 13 0 207 416.387 10

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

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