UCSF

ZINC36436646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 30 Yes

CAS Numbers: 81093-37-0 , 81131-70-6

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) 2.15 5.74 -54.76 3 7 -1 127 423.526 11

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

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