UCSF

ZINC49509285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 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) 1.41 0.94 -9 2 6 0 66 292.383 6
Mid Mid (pH 6-8) 1.41 3.27 -45.72 3 6 1 68 293.391 6
Mid Mid (pH 6-8) 1.41 1.41 -36.73 3 6 1 68 293.391 6
Lo Low (pH 4.5-6) 1.41 3.74 -97.9 4 6 2 69 294.399 6

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

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