UCSF

ZINC19961402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 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) 3.46 9.78 -18.58 3 7 0 111 391.818 3
Mid Mid (pH 6-8) 3.91 8.61 -38.09 2 7 -1 114 390.81 3

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

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