UCSF

ZINC37335738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 2.69 7.08 -40.02 2 3 1 42 240.298 5
Hi High (pH 8-9.5) 2.69 6.11 -45.07 0 3 -1 43 238.282 5
Hi High (pH 8-9.5) 2.69 5.11 -6.61 1 3 0 41 239.29 5
Mid Mid (pH 6-8) 2.69 8.08 -50.1 1 3 0 45 239.29 5

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Rings

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