UCSF

ZINC04317531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 18 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) 1.53 0.36 -38.23 1 5 -1 78 250.184 2
Mid Mid (pH 6-8) 1.53 -0.98 -12.63 2 5 0 75 251.192 2

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