UCSF

ZINC54765528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) 0.82 3.61 -31.26 2 4 1 42 221.328 5
Hi High (pH 8-9.5) 0.82 1.35 -4.36 1 4 0 41 220.32 5
Mid Mid (pH 6-8) 0.82 4.88 -115.08 3 4 2 47 222.336 5

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

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