UCSF

ZINC58538262

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 25 No

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) 3.10 10.8 -11.12 0 4 0 38 349.459 2
Mid Mid (pH 6-8) 3.10 10.96 -33.72 1 4 1 39 350.467 2

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

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