UCSF

ZINC55065551

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 12 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) -5.03 2.33 -204.89 3 9 -3 156 171.096 0
Lo Low (pH 4.5-6) -5.08 2.22 -53.01 5 9 -1 152 173.112 0

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

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