UCSF

ZINC39881491

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.29 10.95 -32.35 1 5 1 47 374.464 2
Mid Mid (pH 6-8) 3.29 10.85 -13.92 0 5 0 46 373.456 2

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