UCSF

ZINC95889565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 20 Yes

Other Names:

MFCD00047199

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) 2.13 7.09 -48.28 3 3 1 50 267.352 5
Hi High (pH 8-9.5) 2.13 6.7 -9.61 2 3 0 48 266.344 5

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

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