UCSF

ZINC09596201

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 14 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) -0.54 4.35 -21.51 1 6 0 81 190.162 1
Lo Low (pH 4.5-6) -0.54 4.12 -35.61 2 6 1 82 191.17 1

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

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