UCSF

ZINC19991641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 3.04 5.94 -3.72 1 3 0 24 310.869 8
Mid Mid (pH 6-8) 3.04 8.2 -38.5 2 3 1 26 311.877 8
Lo Low (pH 4.5-6) 3.04 9.63 -117.51 3 3 2 30 312.885 8

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

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