UCSF

ZINC37817749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 1.65 6.23 -39.33 3 3 1 48 247.362 6
Mid Mid (pH 6-8) 1.65 5.99 -5.65 2 3 0 46 246.354 6

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Rings

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