UCSF

ZINC37323595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.33 6.42 -41.24 2 4 1 44 260.361 4
Mid Mid (pH 6-8) 2.33 5.05 -8.74 1 4 0 39 259.353 4
Lo Low (pH 4.5-6) 2.33 6.97 -102.23 3 4 2 45 261.369 4

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

No pre-computed analogs available. Try a structural similarity search.