UCSF

ZINC64540264

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 39 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) 2.58 5.56 -52.56 8 11 1 164 535.673 13
Hi High (pH 8-9.5) 2.58 4.23 -16.27 7 11 0 160 534.665 13
Lo Low (pH 4.5-6) 2.58 5.68 -95.82 9 11 2 165 536.681 13

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

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