UCSF

ZINC37116307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 3.43 5.94 -30.76 2 1 1 17 223.098 2
Mid Mid (pH 6-8) 3.43 5.34 -2.36 1 1 0 12 222.09 2

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Rings

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