UCSF

ZINC37816449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.29 5.68 -43.79 3 4 1 57 283.367 8
Mid Mid (pH 6-8) 2.29 5.4 -6.43 2 4 0 56 282.359 8

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Rings

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