UCSF

ZINC37335742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 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) 2.65 7.85 -41.98 1 3 1 31 236.335 6
Hi High (pH 8-9.5) 2.65 5.94 -9.22 0 3 0 30 235.327 6

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Rings

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