UCSF

ZINC70092439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 11 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) 2.15 4.39 -38.87 3 1 1 28 168.285 1
Mid Mid (pH 6-8) 2.15 4.09 -2.58 2 1 0 26 167.277 1

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

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