UCSF

ZINC37824133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.35 -2.31 -41.82 6 6 1 111 252.294 5
Hi High (pH 8-9.5) -0.35 -2.65 -15.03 5 6 0 110 251.286 5

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Rings

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