UCSF

ZINC42458656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.61 2.97 -46.46 3 3 1 40 306.199 6
Lo Low (pH 4.5-6) 1.61 5.46 -115.86 4 3 2 41 307.207 6

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Rings

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