UCSF

ZINC51994751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.40 6.6 -2.67 0 2 0 12 245.366 2
Mid Mid (pH 6-8) 3.40 8.79 -34.5 1 2 1 14 246.374 2

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