UCSF

ZINC62862189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 15 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) 1.85 4.7 -38.31 3 2 1 29 225.381 4
Lo Low (pH 4.5-6) 1.85 5.86 -102.05 4 2 2 33 226.389 4

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

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