UCSF

ZINC85486031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 27 No

CAS Number: 36062-04-1

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) 0.83 9.24 -20.19 1 6 0 90 372.417 8
Hi High (pH 8-9.5) 1.58 8.41 -43.26 1 6 -1 96 371.409 7

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

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