UCSF

ZINC41685007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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 6.02 -37.63 2 4 1 51 386.282 7
Hi High (pH 8-9.5) 3.11 6.2 -28.8 1 4 0 53 385.274 7
Hi High (pH 8-9.5) 3.11 3.77 -7.04 1 4 0 49 385.274 7

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Rings

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