UCSF

ZINC71257060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2011 23 Yes

CAS Number: 124832-27-5

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) -2.06 -1.43 -68.17 5 10 0 144 326.357 8
Mid Mid (pH 6-8) -2.06 -1.53 -59.49 6 10 1 146 327.365 8
Mid Mid (pH 6-8) -2.06 -1.73 -48.07 4 10 -1 142 325.349 8

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

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