UCSF

ZINC32777235

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 26 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) 4.96 11.64 -12.17 0 5 0 57 383.86 5
Lo Low (pH 4.5-6) 4.96 12.05 -32.91 1 5 1 58 384.868 5

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

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