UCSF

ZINC22742908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 2.10 3.99 -23.21 2 7 0 101 354.457 7
Hi High (pH 8-9.5) 2.17 3.16 -98.12 0 7 -2 109 352.441 7
Mid Mid (pH 6-8) 2.10 4.07 -51.28 1 7 -1 103 353.449 7

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

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