UCSF

ZINC41676153

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.30 4.84 -87.95 4 5 2 69 301.456 8
Hi High (pH 8-9.5) 1.30 1.97 -9.87 2 5 0 67 299.44 8
Hi High (pH 8-9.5) 1.30 4.6 -44.55 3 5 1 68 300.448 8

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Rings

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