UCSF

ZINC49361376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) -0.81 -2.16 -40.16 0 7 -1 101 199.142 3
Lo Low (pH 4.5-6) -1.27 0.7 -10.14 1 7 0 98 200.15 3

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

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