UCSF

ZINC69658965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 20 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) 1.88 2.6 -6.61 1 4 0 34 282.359 6
Mid Mid (pH 6-8) 1.88 3.95 -47.18 2 4 1 38 283.367 6
Lo Low (pH 4.5-6) 1.88 4.88 -39.15 2 4 1 35 283.367 6
Lo Low (pH 4.5-6) 1.88 6.23 -111.08 3 4 2 40 284.375 6

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

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