UCSF

ZINC45005317

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 2.77 6.65 -10.36 0 4 0 33 302.418 4
Mid Mid (pH 6-8) 2.77 8.87 -49.07 1 4 1 34 303.426 4

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