UCSF

ZINC42449692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.14 4.2 -36.58 2 3 1 38 198.286 5
Hi High (pH 8-9.5) 1.14 1.82 -5 1 3 0 37 197.278 5

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Rings

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