UCSF

ZINC69985652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) 1.07 3.77 -35.53 0 3 -1 40 204.278 1
Mid Mid (pH 6-8) 1.07 4.38 -7.49 1 3 0 42 205.286 1
Lo Low (pH 4.5-6) 1.07 5.23 -100.34 3 3 2 44 207.302 1

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

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