UCSF

ZINC01785480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 44 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) 7.79 18.88 -17.96 1 9 0 96 582.664 8
Hi High (pH 8-9.5) 7.79 18.25 -52.92 0 9 -1 98 581.656 8
Mid Mid (pH 6-8) 7.79 19.31 -35.9 2 9 1 97 583.672 8

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

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