UCSF

ZINC62946152

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) 2.13 6.1 -35.49 2 3 1 26 261.389 3
Mid Mid (pH 6-8) 2.13 5.23 -35.94 2 3 1 29 261.389 3
Lo Low (pH 4.5-6) 2.13 7.45 -119.18 3 3 2 30 262.397 3

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

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