UCSF

ZINC49007612

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 21 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) 1.83 5.21 -8.97 2 5 0 72 302.403 2
Lo Low (pH 4.5-6) 1.83 5.25 -34.17 3 5 1 73 303.411 2

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

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