UCSF

ZINC61327024

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 18 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) 2.84 5.23 -49.23 4 3 1 56 260.386 1
Hi High (pH 8-9.5) 2.84 5.1 -8.77 3 3 0 55 259.378 1
Mid Mid (pH 6-8) 2.84 5.39 -27.24 4 3 1 56 260.386 1
Mid Mid (pH 6-8) 2.84 5.63 -109.48 5 3 2 58 261.394 1

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

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