UCSF

ZINC52943183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 16 No

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) -0.04 2.35 -49.88 4 6 1 103 224.24 4
Hi High (pH 8-9.5) -0.04 2.11 -12.1 3 6 0 101 223.232 4

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Rings

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