UCSF

ZINC37187830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 1.16 2.79 -14.85 1 5 0 62 303.453 6
Mid Mid (pH 6-8) 1.16 3.98 -61.17 2 5 1 67 304.461 6
Lo Low (pH 4.5-6) 1.16 4.43 -122.74 3 5 2 68 305.469 6

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

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