UCSF

ZINC48942554

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 0.25 1.28 -13.21 2 8 0 110 267.27 5
Hi High (pH 8-9.5) 0.32 -0.35 -109.69 0 8 -2 115 265.254 5
Mid Mid (pH 6-8) 0.25 1.26 -42.07 1 8 -1 108 266.262 5

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

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