UCSF

ZINC22931713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 2.73 8.18 -43.59 1 4 1 30 340.491 8
Hi High (pH 8-9.5) 2.73 5.8 -5.51 0 4 0 29 339.483 8
Mid Mid (pH 6-8) 2.73 8.15 -34.99 1 4 1 30 340.491 8
Lo Low (pH 4.5-6) 2.73 8.61 -100.86 2 4 2 31 341.499 8

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

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