UCSF

ZINC36867616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.85 -0.57 -47.1 4 7 1 98 224.244 1
Mid Mid (pH 6-8) -0.39 -2.23 -58.07 3 7 0 102 223.236 1

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

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