UCSF

ZINC70318449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 17 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) 2.33 5.35 -6.89 2 3 0 52 221.263 1
Mid Mid (pH 6-8) 2.33 5.82 -33.99 3 3 1 53 222.271 1

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

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