UCSF

ZINC13281369

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 27 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) 5.91 10.02 -83.51 1 3 -1 56 354.429 0
Mid Mid (pH 6-8) 5.91 9.27 -35.33 2 3 0 53 355.437 0
Lo Low (pH 4.5-6) 5.87 7.99 -24.9 3 3 1 55 356.445 1

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

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