UCSF

ZINC37333932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 2.25 6.8 -36.06 1 3 1 31 222.308 5
Hi High (pH 8-9.5) 2.25 4.62 -7.31 0 3 0 30 221.3 5

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Rings

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