UCSF

ZINC70087493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 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) 0.55 3.33 -47.63 3 5 1 64 291.419 5
Mid Mid (pH 6-8) 0.55 3.58 -91.9 4 5 2 65 292.427 5
Lo Low (pH 4.5-6) 0.55 5.76 -106.05 4 5 2 65 292.427 5

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

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