UCSF

ZINC22748049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.24 13.27 -50.87 2 6 1 63 490.649 8
Hi High (pH 8-9.5) 4.24 11.03 -13.34 1 6 0 62 489.641 8
Lo Low (pH 4.5-6) 4.24 15.65 -97.99 3 6 2 64 491.657 8

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

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