UCSF

ZINC54832622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) 1.13 4.73 -42.06 2 5 1 65 273.36 7
Mid Mid (pH 6-8) 1.13 3.31 -12.07 1 5 0 60 272.352 7
Lo Low (pH 4.5-6) 1.13 5.13 -84.9 3 5 2 66 274.368 7

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

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