UCSF

ZINC37226359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

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) 2.09 4.81 -49.25 3 6 1 92 255.294 7
Mid Mid (pH 6-8) 2.09 4.42 -6.37 2 6 0 90 254.286 7

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Rings

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