UCSF

ZINC62942703

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.22 4.87 -38.15 2 4 1 41 254.379 2
Mid Mid (pH 6-8) 1.22 3.29 -8.28 1 4 0 40 253.371 2
Lo Low (pH 4.5-6) 1.22 5.36 -84.46 3 4 2 42 255.387 2

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

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