UCSF

ZINC95564694

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2014 46 No

CAS Number: 854601-70-0

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) 0.50 5.92 -53.84 3 12 1 128 652.802 24
Hi High (pH 8-9.5) 0.50 3.77 -17.9 2 12 0 127 651.794 24

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

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