UCSF

ZINC95748836

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 16 No

Other Names:

MFCD06739001

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) 1.63 3.48 -13.2 1 3 0 38 219.263 1
Lo Low (pH 4.5-6) 1.63 4.89 -34.25 2 3 1 42 220.271 1

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

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