UCSF

ZINC56871284

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 32 No

CAS Number: 86432-14-6

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) 6.14 11.53 -52.87 1 3 -1 60 439.66 1
Lo Low (pH 4.5-6) 6.14 9.55 -4.74 2 3 0 58 440.668 1

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

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