UCSF

ZINC58331310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 32 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) 3.00 14.17 -37.93 1 8 1 97 451.528 5
Mid Mid (pH 6-8) 3.00 13.75 -20.87 0 8 0 96 450.52 5

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

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