UCSF

ZINC62977039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 1.29 3.87 -38.49 4 5 1 62 288.419 5
Hi High (pH 8-9.5) 1.29 1.74 -8.21 3 5 0 61 287.411 5
Mid Mid (pH 6-8) 1.29 4.89 -79.36 5 5 2 64 289.427 5

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

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