UCSF

ZINC68948508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 16 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) 1.95 7.65 -39.7 2 3 1 33 220.34 6
Hi High (pH 8-9.5) 1.95 6.2 -4.14 1 3 0 28 219.332 6
Mid Mid (pH 6-8) 1.95 8.01 -95.86 3 3 2 34 221.348 6

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

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