UCSF

ZINC31372746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 25 Yes

CAS Number: 551-11-1

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) 3.05 5.14 -47.43 3 5 -1 101 353.479 12
Lo Low (pH 4.5-6) 3.05 3.17 -9.78 4 5 0 98 354.487 12

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

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