UCSF

ZINC49234518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 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) 3.32 1.96 -14.08 3 5 0 88 303.434 3
Mid Mid (pH 6-8) 2.40 1.14 -71.42 3 5 0 89 303.434 4
Mid Mid (pH 6-8) 3.32 1.81 -56.81 4 5 1 90 304.442 3
Mid Mid (pH 6-8) 2.40 1.29 -45.72 2 5 -1 87 302.426 4

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

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