UCSF

ZINC70109604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 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) 2.10 7.23 -50.22 1 5 -1 70 250.322 6
Mid Mid (pH 6-8) 2.10 7.36 -38.28 2 5 0 71 251.33 6

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

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