UCSF

ZINC20494269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 28 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) 4.89 9.85 -46.65 1 4 1 30 410.485 6
Hi High (pH 8-9.5) 4.89 7.55 -10.56 0 4 0 28 409.477 6
Mid Mid (pH 6-8) 4.89 9.86 -44.12 1 4 1 30 410.485 6

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

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