UCSF

ZINC37919359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.01 1.43 -44.49 4 6 1 88 233.251 3
Hi High (pH 8-9.5) 0.00 0.24 -10.88 3 6 0 83 232.243 3
Mid Mid (pH 6-8) 0.01 1.25 -37.49 3 6 0 86 232.243 3

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

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