UCSF

ZINC12397359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 17 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) -1.21 5.45 -55.34 2 9 -1 129 235.183 3
Mid Mid (pH 6-8) -1.21 5.34 -122.28 1 9 -2 127 234.175 3

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

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