UCSF

ZINC69810624

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 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) 2.17 7.14 -52.95 2 4 1 55 294.758 4
Hi High (pH 8-9.5) 2.17 6.31 -51.33 0 4 -1 57 292.742 4
Mid Mid (pH 6-8) 2.17 8 -65.36 1 4 0 58 293.75 4
Mid Mid (pH 6-8) 2.17 5.44 -14.55 1 4 0 54 293.75 4

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

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