UCSF

ZINC12361226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 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) -0.33 1.24 -10.49 1 7 0 85 220.188 0
Mid Mid (pH 6-8) -0.33 2.35 -34.99 2 7 1 87 221.196 0

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

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