UCSF

ZINC67515552

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 30 Yes

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) 1.34 8.88 -18.5 1 8 0 83 405.506 5
Ref Reference (pH 7) 1.34 8.86 -17.56 1 8 0 83 405.506 5
Lo Low (pH 4.5-6) 1.34 9.28 -45.28 2 8 1 84 406.514 5
Lo Low (pH 4.5-6) 1.34 9.31 -45.32 2 8 1 84 406.514 5

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

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