UCSF

ZINC71260720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2011 32 No

CAS Number: 123447-63-2

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) 2.49 8.47 -149.94 0 9 -2 116 461.471 4
Mid Mid (pH 6-8) 2.49 10.69 -176.73 1 9 -1 117 462.479 4

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

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