UCSF

ZINC12475477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 14 No

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) 2.79 5.73 -4.94 1 2 0 28 188.205 2
Ref Reference (pH 7) 2.79 5.47 -4.91 1 2 0 28 188.205 2
Lo Low (pH 4.5-6) 2.79 6.03 -33.7 2 2 1 30 189.213 2
Lo Low (pH 4.5-6) 2.79 6.16 -34.34 2 2 1 30 189.213 2

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

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