UCSF

ZINC22746814

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 37 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) 6.08 18.93 -41.21 2 5 1 51 489.643 3
Mid Mid (pH 6-8) 6.08 19.37 -90.58 3 5 2 53 490.651 3
Mid Mid (pH 6-8) 1.38 7.1 -22.18 1 8 0 82 428.533 3

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

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