UCSF

ZINC95742671

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 6 No

CAS Numbers: 1820-80-0 , 916420-28-5

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) -0.96 -1.48 -29.62 3 3 1 52 84.102 0
Lo Low (pH 4.5-6) -0.96 -1.77 -114.54 4 3 2 54 85.11 0

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

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