UCSF

ZINC62973868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.13 1.63 -36.47 2 4 1 32 256.414 5
Mid Mid (pH 6-8) 1.13 4.1 -110.74 3 4 2 34 257.422 5
Mid Mid (pH 6-8) 1.13 3.84 -86.39 3 4 2 34 257.422 5

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

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