UCSF

ZINC37180052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.11 6.91 -123.87 4 2 2 32 250.43 6
Hi High (pH 8-9.5) 3.11 5.15 -43.39 3 2 1 31 249.422 6
Mid Mid (pH 6-8) 3.11 6.55 -28.1 3 2 1 30 249.422 6

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Rings

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