UCSF

ZINC67954522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 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) 1.40 6.06 -21.66 1 5 0 79 257.293 4
Mid Mid (pH 6-8) 2.31 4.08 -48.31 0 5 -1 82 256.285 4

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

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