UCSF

ZINC52831136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 0.95 6.1 -91.54 3 4 2 43 208.309 4
Hi High (pH 8-9.5) 0.95 3.45 -7.09 1 4 0 41 206.293 4
Mid Mid (pH 6-8) 0.95 6.09 -86.98 3 4 2 43 208.309 4
Mid Mid (pH 6-8) 0.95 5.93 -40.57 2 4 1 42 207.301 4

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

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