UCSF

ZINC22696410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 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) 2.56 10.54 -53.29 3 8 1 95 496.657 11
Hi High (pH 8-9.5) 2.56 8.18 -26.9 2 8 0 94 495.649 11
Lo Low (pH 4.5-6) 2.56 11.48 -79.43 4 8 2 97 497.665 11

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

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