UCSF

ZINC37175424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 No

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) 0.97 6.4 -42.38 2 4 1 38 255.411 4
Hi High (pH 8-9.5) 0.97 4.95 -5.34 1 4 0 33 254.403 4
Lo Low (pH 4.5-6) 0.97 6.54 -99.5 3 4 2 39 256.419 4

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

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