UCSF

ZINC95889595

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 17 Yes

Other Names:

MFCD00036995

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) 0.35 0.2 -38.7 4 5 1 87 235.263 4
Lo Low (pH 4.5-6) 0.35 0.54 -106.91 5 5 2 88 236.271 4

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

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