UCSF

ZINC22693637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 25 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) 1.32 1.27 -15.53 2 7 0 88 369.487 7
Mid Mid (pH 6-8) 1.32 1.34 -44.96 1 7 -1 90 368.479 7
Mid Mid (pH 6-8) 1.32 3.34 -53.8 3 7 1 89 370.495 7

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

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