UCSF

ZINC22708832

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) 2.76 5.78 -30.38 4 6 1 76 382.513 3
Mid Mid (pH 6-8) 2.76 5.33 -10.7 3 6 0 74 381.505 3
Lo Low (pH 4.5-6) 2.76 6.57 -58.3 5 6 0 77 383.521 3

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

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