UCSF

ZINC37085494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

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) 2.48 6.97 -48.92 2 4 1 67 247.318 5
Mid Mid (pH 6-8) 2.48 6.19 -8.78 1 4 0 62 246.31 5

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Rings

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