UCSF

ZINC37221216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.03 7.13 -96.63 4 3 2 33 283.504 3
Mid Mid (pH 6-8) 3.02 7.24 -75.2 4 3 2 33 283.504 3
Mid Mid (pH 6-8) 3.03 8.08 -173.01 5 3 3 38 284.512 3

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

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