UCSF

ZINC08778632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 22 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) 3.05 10.58 -32.82 2 5 1 60 310.406 2
Mid Mid (pH 6-8) 2.88 -1.16 -36.41 2 5 1 56 310.406 3
Mid Mid (pH 6-8) 2.88 9.77 -13.66 1 5 0 55 309.398 3
Lo Low (pH 4.5-6) 3.05 10.99 -79.37 3 5 2 61 311.414 2

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

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