UCSF

ZINC42477994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.29 1.36 -24.96 4 5 1 77 237.327 5
Hi High (pH 8-9.5) 0.29 1.29 -9.92 3 5 0 75 236.319 5
Mid Mid (pH 6-8) 0.29 1.4 -21.31 4 5 1 77 237.327 5
Mid Mid (pH 6-8) 0.29 1.76 -98.85 5 5 2 78 238.335 5
Lo Low (pH 4.5-6) 0.29 1.72 -99.6 5 5 2 78 238.335 5

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

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