UCSF

ZINC13723257

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 15 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) -0.24 3.76 -46.11 1 6 -1 90 222.253 3
Mid Mid (pH 6-8) -0.42 4.81 -13.64 2 6 0 84 223.261 3

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

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