UCSF

ZINC49581319

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 2.41 0.41 -108.67 1 5 -2 88 271.301 2
Mid Mid (pH 6-8) 1.95 2.44 -38.52 2 5 -1 85 272.309 2
Mid Mid (pH 6-8) 2.41 -0.41 -47.29 2 5 -1 85 272.309 2
Mid Mid (pH 6-8) 1.95 1.64 -10.02 3 5 0 82 273.317 2

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

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