UCSF

ZINC41470657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 Yes

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) 0.88 6.68 -43.48 2 8 1 85 330.368 6
Mid Mid (pH 6-8) 0.88 6.23 -13.22 1 8 0 83 329.36 6
Lo Low (pH 4.5-6) 0.88 7.17 -87.09 3 8 2 86 331.376 6

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

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