UCSF

ZINC96346941

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2014 32 Yes

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) 0.67 12.49 -75.09 0 9 -1 112 460.463 3
Lo Low (pH 4.5-6) 0.67 10.47 -27.12 1 9 0 109 461.471 3

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

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