UCSF

ZINC43912998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.07 4.35 -102.62 3 5 2 49 276.421 10
Hi High (pH 8-9.5) 1.07 2.28 -3.2 1 5 0 43 274.405 10
Hi High (pH 8-9.5) 1.07 2.42 -30.34 2 5 1 48 275.413 10
Mid Mid (pH 6-8) 1.07 3.28 -27.87 2 5 1 44 275.413 10

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