UCSF

ZINC34667870

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 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) 2.79 8.11 -10.82 1 5 0 48 354.429 5
Mid Mid (pH 6-8) 2.79 8.43 -34.37 2 5 1 50 355.437 5
Mid Mid (pH 6-8) 2.79 10.33 -47.89 2 5 1 50 355.437 5
Lo Low (pH 4.5-6) 2.79 10.67 -104.68 3 5 2 51 356.445 5

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